SCHEMBL8671580

SCHEMBL8671580

COc1ccccc1C([CH]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.49
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL8673617 0.91 TACR1 (0.49) TACR1SMN1; SMN2MAPTGAA
SCHEMBL8919912 0.90 TACR1 (0.46) TACR1
SCHEMBL8919968 0.89 TACR1 (0.47) TACR1
SCHEMBL8673323 0.89 TACR1 (0.47) TACR1SMN1; SMN2MAPTGAAUSP2
SCHEMBL8924107 0.88 TACR1 (0.46) TACR1SMN1; SMN2USP2TSHR
SCHEMBL8673624 0.88 TACR1 (0.46) TACR1
SCHEMBL8673191 0.87 TACR1 (0.48) TACR1
SCHEMBL8674830 0.87 TACR1 (0.51) TACR1SMN1; SMN2USP2TSHR
SCHEMBL8675298 0.86 TACR1 (0.47) TACR1SMN1; SMN2USP2TSHR
SCHEMBL8669200 0.86 TACR1 (0.60) TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed