SCHEMBL18536617

SCHEMBL18536617

C=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C)C(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
EPHX2 P34913 1/20 0.37
MCHR1 Q99705 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
SCHEMBL18536615 0.90 MTOR (0.52) MTORKCNH2CACNA1GCACNA1BEPHX2
SCHEMBL2068031 0.90 MTOR (0.52) MTORKCNH2CACNA1GCACNA1BEPHX2
Hydrochloric Acid SCHEMBL2067983 0.89 MTOR (0.52) MTORKCNH2CACNA1GCACNA1BEPHX2
SCHEMBL9970048 0.80 EPHX2 (0.51) KCNH2EPHX2MCHR1
Hydrochloric Acid SCHEMBL2069161 0.80 EPHX2 (0.50) KCNH2EPHX2MCHR1
SCHEMBL2068332 0.79 NPC1 (0.47) SMN1; SMN2POLBMAPTKMT2AEPHX2
SCHEMBL18536579 0.79 NPC1 (0.47) SMN1; SMN2POLBMAPTKMT2AEPHX2
SCHEMBL13962125 0.79 EPHX2 (0.49) MTORSMN1; SMN2POLBMAPTEPHX2
SCHEMBL18536590 0.79 EPHX2 (0.49) MTORSMN1; SMN2POLBMAPTEPHX2
SCHEMBL2067558 0.79 EPHX2 (0.49) MTORSMN1; SMN2POLBMAPTEPHX2

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-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed