SCHEMBL6949606

SCHEMBL6949606

COc1ccccc1CN(C(C)=O)C(C)(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TSPO P30536 3/20 0.40
OPRK1 P41145 2/20 0.40
ACHE P22303 5/20 0.40
BCHE P06276 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGES O14684 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL1845830 0.74 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2MTNR1A
SCHEMBL6951934 0.70 TACR1 (0.57) MEN1KMT2ACRHBPCRHR2TSPO
SCHEMBL6949603 0.69 NPC1 (0.45) KMT2AMTNR1AMTNR1BNPC1RAB9A
SCHEMBL6950194 0.69 TACR1 (0.58)
SCHEMBL6953419 0.68 ALDH1A1 (0.46) MEN1KMT2AACHEBCHECHRM2
SCHEMBL21306338 0.66 MEN1 (0.56) MEN1KMT2ACRHBPCRHR2TSPO
SCHEMBL27995401 0.66 HPGD (0.47) MEN1KMT2ACRHBPCRHR2MTNR1A
SCHEMBL27541304 0.65 KMT2A (0.49) MEN1KMT2ACRHBPCRHR2ACHE
SCHEMBL4003679 0.65 KCNN4 (0.49) MEN1KMT2AMTNR1AMTNR1BNPC1
SCHEMBL735118 0.64 SLC6A4 (0.68) MEN1KMT2ACRHBPCRHR2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699665-B1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6175013-B1 1-(2-METHOXYBENZYL)-2-((4-PHENYL-1-PIPERAZINYL)METHYL)-4-(1H -INDOL-3-YLMETHYL)-2-IMIDAZOLINE, FOR EXAMPLE; ADMINSTERING TO TREAT ANXIETY, DEPRESSION, PSYCHOSIS, AND SCHIZOPHRENIA ELI LILLY AND COMPANY 2001-01-16 US disclosed
EP-0699665-A1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed