SCHEMBL7337635

SCHEMBL7337635

CC(C)CC(N)C(=O)NC(Cc1ccc(CCCN(C)C)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
NPY4R P50391 7/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 3/20 0.41
NPY5R Q15761 2/20 0.39
LMNA P02545 1/20 0.39
PSMB1 P20618 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB2 P49721 2/20 0.39
MMP1 P03956 3/20 0.38
MMP13 P45452 1/20 0.38
MMP3 P08254 2/20 0.37
MMP2 P08253 1/20 0.37
AVPR1A P37288 1/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 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
SCHEMBL7348068 0.85 PSMB5 (0.51) CACNA1BPSMB1PSMB5PSMB2MMP1
SCHEMBL7347666 0.85 CACNA1B (0.46) CACNA1BNPY4RNPY1RNPY2RNPY5R
SCHEMBL7346468 0.81 CACNA1B (0.40) CACNA1BNPY4RNPY1RNPY2RNPY5R
SCHEMBL7343134 0.81 MMP1 (0.52) CACNA1BPSMB5MMP1MMP3MMP2
SCHEMBL7337467 0.80 CACNA1B (0.47) CACNA1BPSMB5MMP1MMP3MMP2
SCHEMBL7341779 0.80 CACNA1B (0.47) CACNA1BPSMB1PSMB5PSMB2
SCHEMBL7341162 0.80 PTPN1 (0.47) CACNA1BPSMB1PSMB5PSMB2MMP1
SCHEMBL7338188 0.78 KMT2A (0.44) CACNA1BPSMB1PSMB5PSMB2MMP1
SCHEMBL7337630 0.78 LMNA (0.36) CACNA1BNPY4RNPY1RLMNAPSMB1
SCHEMBL7344639 0.78 CACNA1B (0.45) CACNA1BNPY4RNPY1RNPY2RNPY5R

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 1 patent. 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