SCHEMBL3655451

SCHEMBL3655451

CC1CCC[N+]1(c1ccc(NC(=O)c2cccnc2)c(C(F)(F)F)c1)C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CSF1R P07333 2/20 0.40
BRAF P15056 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.38
EGFR P00533 1/20 0.38
TRPA1 O75762 1/20 0.38
GAA P10253 1/20 0.38
LDLR P01130 2/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3654254 0.86 EPHX2 (0.46) POLBSMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL3653079 0.85 RAB9A (0.50) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL3652812 0.85 PDE4D (0.40) SMN1; SMN2RXFP1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3653109 0.85 RAB9A (0.45) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL3653093 0.84 CYP1A2 (0.36) SMN1; SMN2KMT2ACYP2C19
Trifluoroacetic Acid SCHEMBL3657528 0.82 RXFP1 (0.37) RXFP1ALDH1A1CYP2C19
SCHEMBL3657515 0.81 RAB9A (0.41) SMN1; SMN2KMT2AALDH1A1
SCHEMBL3650108 0.80 GAA (0.48) RXFP1CSF1RBRAFMEN1KMT2A
SCHEMBL3658110 0.78 KDM4E (0.44) POLBSMN1; SMN2KMT2AALDH1A1GAA
Trifluoroacetic Acid SCHEMBL3656228 0.78 RAB9A (0.46) TSHRSMN1; SMN2CSF1RBRAFMEN1

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