SCHEMBL3657680

SCHEMBL3657680

COc1ccc(C(=O)Nc2ccc([N+]3(C4CCNC4)CCCC3C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47
MEN1 O00255 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL3659571 0.94 RAB9A (0.45) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL3655153 0.87 NPC1 (0.43) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL3652812 0.85 PDE4D (0.40) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3657679 0.84 RAB9A (0.46) RAB9ANPC1TP53SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL3654963 0.83
SCHEMBL3653079 0.82 RAB9A (0.50) RAB9ANPC1TP53SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL3653624 0.81 KDM4E (0.40) TP53ALDH1A1MAPTMCL1
SCHEMBL3657524 0.80 PARP10 (0.39)
SCHEMBL3650418 0.80 EPHX2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2635572 0.79 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2KMT2A

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