SCHEMBL7659273

SCHEMBL7659273

CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(C(=O)NCCc2ccccc2)=C(C)N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.68
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KCNH2 Q12809 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46

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
SCHEMBL7656324 0.94 CACNA1B (0.66) CACNA1BNPC1RAB9AMEN1KMT2A
SCHEMBL7669506 0.94 CACNA1B (0.66) CACNA1BMAPT
SCHEMBL28744261 0.86 CACNA1B (0.59) CACNA1B
SCHEMBL4495941 0.85 CACNA1B (0.69) CACNA1B
SCHEMBL7668239 0.85 CACNA1B (0.56) CACNA1BNPC1RAB9AMEN1KMT2A
SCHEMBL7663847 0.85 CACNA1B (0.65) CACNA1BNPC1RAB9A
SCHEMBL7667045 0.84 CACNA1B (0.54) CACNA1BMEN1MAPTKMT2A
SCHEMBL4503644 0.82 CACNA1B (0.65) CACNA1B
SCHEMBL27552807 0.82 CACNA1B (0.59) CACNA1B
SCHEMBL27533242 0.81 CACNA1B (0.53) CACNA1BNPC1RAB9A

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
US-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed