SCHEMBL3654285

SCHEMBL3654285

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SERPINE1 P05121 1/20 0.35
P2RY14 Q15391 1/20 0.34

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 0.88 BCL9 (0.41) MAPTRAB9ASMN1; SMN2
SCHEMBL3651913 0.88 BCL9 (0.41) MAPTRAB9ASMN1; SMN2
SCHEMBL3658188 0.88 BCL9 (0.41) MAPTRAB9ASMN1; SMN2
SCHEMBL3648133 0.87 LMNA (0.41) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3657254 0.86 SMN1; SMN2 (0.39) MAPTRAB9ASMN1; SMN2P2RY14
Trifluoroacetic Acid SCHEMBL3655804 0.84 CYP1A2 (0.36) RAB9AKMT2A
SCHEMBL3657527 0.84 RAB9A (0.46) RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3655792 0.83 MAPT (0.37) MAPTRAB9ASMN1; SMN2P2RY14
SCHEMBL3656222 0.83 SMN1; SMN2 (0.35) MAPTRAB9ASMN1; SMN2P2RY14
SCHEMBL2636793 0.82 BCL9 (0.33)

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