SCHEMBL3655567

SCHEMBL3655567

Cc1cc(C)nc(N(C)c2ccc(C(=O)Nc3ccc([N+]4(C5CCNC5)CCCC4C)cc3C)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL3653649 0.84 BCL9 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3658188 0.84 BCL9 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3651913 0.84 BCL9 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3657254 0.83 SMN1; SMN2 (0.39) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3654285 0.81 MAPT (0.38) MAPTRAB9ASMN1; SMN2
SCHEMBL3648133 0.81 LMNA (0.41) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3656222 0.79 SMN1; SMN2 (0.35) MAPTALDH1A1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3655804 0.79 CYP1A2 (0.36) RAB9A
SCHEMBL3707040 0.79 ROCK1 (0.37) MAPT
SCHEMBL3657543 0.79 NPC1 (0.40) MAPTALDH1A1RAB9ASMN1; SMN2

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
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed