SCHEMBL7656324

SCHEMBL7656324

CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(C(=O)NCCCc2ccccc2)=C(C)N1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.66
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL7669506 0.98 CACNA1B (0.66) CACNA1BKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL7659273 0.94 CACNA1B (0.68) CACNA1BMEN1KMT2ANPC1RAB9A
SCHEMBL28744261 0.92 CACNA1B (0.59) CACNA1BKDM4EPOLBADRA2AADRA2B
SCHEMBL7668239 0.91 CACNA1B (0.56) CACNA1BKDM4EPOLBMEN1ALDH1A1
SCHEMBL27533242 0.88 CACNA1B (0.53) CACNA1BKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL27552807 0.86 CACNA1B (0.59) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL7665052 0.84 CACNA1B (0.53) CACNA1BMEN1KMT2AADRA1A
SCHEMBL4495941 0.84 CACNA1B (0.69) CACNA1BSMN1; SMN2
SCHEMBL7663847 0.83 CACNA1B (0.65) CACNA1BSMN1; SMN2NPC1RAB9A
SCHEMBL7656853 0.82 CACNA1B (0.53) CACNA1BMEN1KMT2AADRA1A

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