SCHEMBL7768047

SCHEMBL7768047

COc1ccccc1CCC(=O)N1CC2C(C1)C(c1ccccc1)(c1ccccc1)CCC2(O)c1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.66
FNTA P49354 6/20 0.54
FNTB P49356 6/20 0.54
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
S1PR1 P21453 2/20 0.44
GRIN2B Q13224 1/20 0.43
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
SIGMAR1 Q99720 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6903041 1.00 TACR1 (0.66) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL7582580 1.00 TACR1 (0.66) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8545840 0.91 TACR1 (0.67) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8956909 0.91 TACR1 (0.67) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8548669 0.87 TACR1 (0.64) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8956927 0.87 TACR1 (0.64) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8956845 0.86 TACR1 (0.68) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8957044 0.86 TACR1 (0.68) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8957083 0.86 TACR1 (0.68) TACR1FNTAFNTBMEN1KMT2A
SCHEMBL8956821 0.84 TACR1 (0.61) TACR1FNTAFNTBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102590-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LTD. (GB) 2001-05-30 EP disclosed
EP-1079863-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LTD. (GB) 2001-03-07 EP disclosed
EP-1001780-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MANIA MERCK SHARP & DOHME LTD. (GB) 2000-05-24 EP disclosed
EP-1001779-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR DISORDERS MERCK SHARP & DOHME LTD. (GB) 2000-05-24 EP disclosed
WO-2000007598-A1 USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING OR PREVENTING ABNORMAL BONE RESORPTION MERCK SHARP & DOHME LIMITED (GB) 2000-02-17 WO disclosed
EP-0977572-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING EATING DISORDERS MERCK SHARP & DOHME LTD. (GB) 2000-02-09 EP disclosed
EP-0977573-A1 USE OF AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR TREATING OBESITY MERCK SHARP & DOHME LTD. (GB) 2000-02-09 EP disclosed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO disclosed
WO-1999007374-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1999007375-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1999007373-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MANIA MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1999007376-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MANIA MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1998047514-A1 USE OF AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR TREATING OBESITY MERCK SHARP & DOHME LIMITED (GB) 1998-10-29 WO disclosed
WO-1998047513-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING EATING DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-10-29 WO disclosed
WO-1997002824-A1 USE OF A TACHYKININ ANTAGONIST AND A MUSCARINIC ANTAGONIST AND/OR AN ANTIHISTAMINE TO TREAT MOTION SICKNESS MERCK SHARP & DOHME LIMITED (GB) 1997-01-30 WO disclosed