SCHEMBL7383571

SCHEMBL7383571

CC(C)=CCN(c1ccc(C(C)C)cc1)C1CCN(C(=O)[C@@H](O)CC(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.58

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
SCHEMBL7424188 1.00 CACNA1B (0.58) CACNA1B
SCHEMBL7429335 0.86 CACNA1B (0.52) CACNA1B
SCHEMBL7383461 0.83 CACNA1B (0.83) CACNA1B
SCHEMBL7423255 0.83 CACNA1B (0.83) CACNA1B
SCHEMBL7388010 0.81 NPC1 (0.54) CACNA1B
SCHEMBL7421570 0.80 CACNA1B (0.43) CACNA1B
SCHEMBL7045466 0.80 CACNA1B (0.70) CACNA1B
SCHEMBL7391056 0.78 CACNA1B (0.43) CACNA1B
SCHEMBL7380663 0.78 CACNA1B (0.45) CACNA1B
SCHEMBL7043631 0.78 CACNA1B (0.68) 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 3 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
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 WO disclosed