SCHEMBL7340762

SCHEMBL7340762

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.59
DPP7 Q9UHL4 1/20 0.57
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
OPRK1 P41145 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
SCHEMBL7336001 0.93 CACNA1B (0.52) CACNA1BDPP7MMEACECPA1
SCHEMBL7348697 0.92 CACNA1B (0.51) CACNA1BDPP7MMEACECPA1
SCHEMBL7345176 0.92 CACNA1B (0.57) CACNA1BDPP7OPRK1
SCHEMBL7343537 0.91 CACNA1B (0.50) CACNA1BDPP7MMEACECPA1
SCHEMBL7341217 0.91 TACR2 (0.50) CACNA1BDPP7MMEACECPA1
SCHEMBL7338706 0.91 CACNA1B (0.49) CACNA1BDPP7MMEACECPA1
SCHEMBL7343415 0.90 FAAH (0.52) CACNA1BDPP7MMEACECPA1
SCHEMBL7339842 0.90 CACNA1B (0.52) CACNA1BDPP7MMEACECPA1
SCHEMBL7343479 0.90 CACNA1B (0.55) CACNA1BMMEACECPA1ACE2
SCHEMBL7347989 0.89 CACNA1B (0.53) CACNA1BOPRK1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed