SCHEMBL7423255

SCHEMBL7423255

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

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.83
CCR5 P51681 1/20 0.41

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
SCHEMBL7383461 1.00 CACNA1B (0.83) CACNA1BCCR5
SCHEMBL2866427 0.91 CACNA1B (1.00) CACNA1B
SCHEMBL2866423 0.91 CACNA1B (1.00) CACNA1B
SCHEMBL7038930 0.91 CACNA1B (1.00) CACNA1B
Hydrochloric Acid SCHEMBL7038897 0.90 CACNA1B (0.98) CACNA1B
SCHEMBL7041216 0.90 CACNA1B (0.80) CACNA1BCCR5
SCHEMBL7041212 0.90 CACNA1B (0.80) CACNA1BCCR5
SCHEMBL7039553 0.88 CACNA1B (1.00) CACNA1B
SCHEMBL7039549 0.88 CACNA1B (1.00) CACNA1B
SCHEMBL7041266 0.86 CACNA1B (1.00) 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
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