SCHEMBL7668239

SCHEMBL7668239

CCC1=C(C(=O)NCCCc2ccccc2)C(c2cccc(Cl)c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.56
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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 0.91 CACNA1B (0.66) CACNA1BMEN1ALDH1A1LMNATP53
SCHEMBL7669506 0.89 CACNA1B (0.66) CACNA1BALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL7663854 0.85 CACNA1B (0.47) CACNA1B
SCHEMBL7659273 0.85 CACNA1B (0.68) CACNA1BMEN1KMT2ANPC1RAB9A
SCHEMBL28744261 0.84 CACNA1B (0.59) CACNA1BKDM4EPOLB
SCHEMBL7665835 0.81 CACNA1B (0.84) CACNA1B
SCHEMBL7665839 0.81 CACNA1B (0.84) CACNA1B
SCHEMBL27533242 0.80 CACNA1B (0.53) CACNA1BALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6931116 0.79 CACNA1B (0.58) CACNA1B
SCHEMBL27552807 0.78 CACNA1B (0.59) CACNA1B

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