SCHEMBL6076972

SCHEMBL6076972

Clc1ccc(-c2nc3c(c(NC4CCCC4)n2)CCCC3)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.47
CNR1 P21554 7/20 0.44
LATS1 O95835 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
CHRM1 P11229 1/20 0.38
EPHX2 P34913 1/20 0.38
OPRL1 P41146 2/20 0.38
RIPK1 Q13546 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
SCHEMBL6075727 0.91 CRHR1 (0.39) CRHR1CNR1LATS1ACHEBCHE
SCHEMBL6075724 0.91 CRHR1 (0.39) CRHR1CNR1LATS1ACHEBCHE
SCHEMBL6075527 0.83 ACP1 (0.45) LATS1BCHE
SCHEMBL6075668 0.81 ADORA1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL6076612 0.81 ACHE (0.46) CRHR1MAOAMAOBACHEBCHE
SCHEMBL5733419 0.80 ACP1 (0.45) LATS1
SCHEMBL6075854 0.79 PDE5A (0.40) LATS1ACHEBCHERIPK1
SCHEMBL6075498 0.79 PDE5A (0.41) LATS1NPC1RAB9A
SCHEMBL5732643 0.79 IGF1R (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL5732894 0.78 IGF1R (0.42) LATS1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045526-B2 Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-16 US claimed