SCHEMBL3655137

SCHEMBL3655137

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
P2RX7 Q99572 2/20 0.38
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
EPHX2 P34913 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FUCA1 P04066 1/20 0.34
CHRM1 P11229 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
SCHEMBL3659607 0.86 LMNA (0.33) KMT2AMEN1ALDH1A1RECQLFUCA1
SCHEMBL3650418 0.85 EPHX2 (0.48) RAB9ANPC1KMT2AMEN1EPHX2
SCHEMBL3660320 0.83 HRH3 (0.41) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3658726 0.83 CYP1A2 (0.44) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3650309 0.81 KMT2A (0.50) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3658188 0.81 BCL9 (0.41) RAB9AALDH1A1MAPT
SCHEMBL3651913 0.81 BCL9 (0.41) RAB9AALDH1A1MAPT
SCHEMBL3653649 0.81 BCL9 (0.41) RAB9AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3650317 0.80 EPHX2 (0.43) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3661317 0.80 HRH3 (0.43) KMT2AMEN1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed