SCHEMBL6948602

SCHEMBL6948602

COc1ccccc1CN1CC(Cc2ccccc2)N=C1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
TACR1 P25103 1/20 0.43
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
BRD4 O60885 1/20 0.41
KCNH2 Q12809 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
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
SCHEMBL6950162 0.80 KMT2A (0.47) MEN1KMT2APOLBTACR1KDM4E
Ammonia Solution, Strong SCHEMBL28870087 0.66 PDE5A (0.39)
SCHEMBL9446993 0.65 BRD4 (0.42) POLBBRD4LMNAMAPTSIGMAR1
SCHEMBL2919640 0.64 MEN1 (0.56) MEN1KMT2ATACR1CXCR4KDM4E
SCHEMBL2919331 0.64 GNAI3 (0.54) MEN1KMT2APOLBTACR1CXCR4
SCHEMBL621779 0.63 HTR1A (0.58) LMNA
SCHEMBL7209206 0.62 ACHE (0.60) MEN1KMT2AKCNH2USP2HSD17B10
SCHEMBL5536939 0.62 MEN1 (0.48) MEN1KMT2AKDM4EKCNH2USP2
SCHEMBL2922060 0.62 GNAI3 (0.49) MEN1KMT2ATACR1CXCR4KDM4E
SCHEMBL11379176 0.62 SIGMAR1 (0.51) KCNH2USP2HSD17B10SIGMAR1

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