SCHEMBL6950162

SCHEMBL6950162

COc1ccccc1CN1CC(c2ccccc2)N=C1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.44
TACR1 P25103 5/20 0.44
BRD4 O60885 1/20 0.42
GRIN2B Q13224 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6948602 0.80 MEN1 (0.44) KMT2AMEN1POLBTACR1BRD4
SCHEMBL9254157 0.76 SIGMAR1 (0.51) KMT2AMEN1KDM1AMAOAMAOB
SCHEMBL11215454 0.75 SMN1; SMN2 (0.40) KMT2AMEN1ATMKDM1AHSD17B10
SCHEMBL3256065 0.72 MEN1 (0.57) KMT2AMEN1ATMPOLBKDM1A
SCHEMBL11221891 0.72 SLC18A3 (0.41) KMT2AMEN1ATMKDM4E
SCHEMBL6960206 0.68 GNAI3 (0.53) KMT2AMEN1POLBTACR1USP2
SCHEMBL7209206 0.67 ACHE (0.60) KMT2AMEN1USP2HSD17B10
SCHEMBL2919640 0.65 MEN1 (0.56) KMT2AMEN1TACR1USP2KDM4E
SCHEMBL2919331 0.65 GNAI3 (0.54) KMT2AMEN1POLBTACR1USP2
SCHEMBL7484195 0.65 ACHE (0.68) KMT2AMEN1

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