SCHEMBL2417237

SCHEMBL2417237

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.41
CHRNA7 P36544 1/20 0.40
BRAF P15056 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM5A P29375 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
BRD4 O60885 2/20 0.37
HSD11B1 P28845 2/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36

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 SCHEMBL2423340 0.94 BRAF (0.41) MAPK11MAPK14LMNACHRNA7BRAF
SCHEMBL2423094 0.94 MAPK11 (0.50) MAPK11MAPK14CHRNA7KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2420295 0.88 MAPK11 (0.45) MAPK11MAPK14CHRNA7BRAFKDM4E
SCHEMBL2421213 0.82 KMT2A (0.44) LMNAKDM4EALDH1A1MAPTBRD4
SCHEMBL2421631 0.81 CHRNA7 (0.41) CHRNA7BRD4WNT1DYRK1A
SCHEMBL2419695 0.80 SMN1; SMN2 (0.48) LMNAKDM4EALDH1A1MAPTNPC1
SCHEMBL223823 0.79 HRH3 (0.38) MAPK14ALDH1A1BRD4RAB9A
Cyclohexane SCHEMBL2428515 0.79 HRH3 (0.40) NPC1RAB9A
SCHEMBL2422227 0.77 GRM5 (0.40) CHRNA7
SCHEMBL223649 0.76 KCNH2 (0.46) ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed