SCHEMBL7358097

SCHEMBL7358097

CC(C)CCN(c1ccc(C#Cc2ccccc2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.38
OPRD1 P41143 2/20 0.37
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7357575 0.88 CACNA1B (0.47) CACNA1BMEN1KMT2ATDP1OPRD1
SCHEMBL7353204 0.87 CACNA1B (0.48) CACNA1BMEN1KMT2AOPRD1
SCHEMBL7349295 0.86 CACNA1B (0.56) CACNA1BMEN1KMT2ATDP1OPRD1
SCHEMBL7354272 0.86 CACNA1B (0.61) CACNA1BMEN1KMT2A
SCHEMBL7354077 0.81 CACNA1B (0.58) CACNA1BMEN1KMT2A
SCHEMBL7421288 0.81 CACNA1B (0.49) CACNA1BOPRD1
SCHEMBL7042631 0.81 CACNA1B (0.56) CACNA1BOPRD1
SCHEMBL7357264 0.81 CACNA1B (0.47) CACNA1BMEN1KMT2AKDM4E
SCHEMBL7359677 0.80 CACNA1B (0.62) CACNA1BMEN1KMT2A
SCHEMBL7042629 0.80 CACNA1B (0.43) CACNA1BGRM5

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
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO claimed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO disclosed