SCHEMBL7388358

SCHEMBL7388358

CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 8/20 0.64
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7391285 0.90 CACNA1B (0.72) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7391219 0.88 CACNA1B (0.65) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7385922 0.86 CACNA1B (0.67) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7385284 0.85 CACNA1B (0.66) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7393738 0.85 CACNA1B (0.66) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7390816 0.84 CACNA1B (0.65) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7393847 0.84 CACNA1B (0.65) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7380925 0.84 CACNA1B (0.70) CACNA1BNPC1RAB9AKDM4E
SCHEMBL7391040 0.83 CACNA1B (0.63) CACNA1BNPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL7425461 0.83 CACNA1B (0.66) CACNA1BNPC1RAB9AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 — — US claimed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 — — WO claimed
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 — — US disclosed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 — — WO disclosed
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