SCHEMBL7366434

SCHEMBL7366434

NC(=O)CCN(C(=O)[CH]Cc1ccc(OCc2ccccc2)cc1)C1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 3/20 0.47
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA1B Q00975 1/20 0.40
LTA4H P09960 1/20 0.40
KCNH2 Q12809 2/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RPLP1 P05386 1/20 0.38
RPLP0 P05388 1/20 0.38
RPS17 P08708 1/20 0.38
RPSA P08865 1/20 0.38
RPS2 P15880 1/20 0.38
RPL35A P18077 1/20 0.38
RPL7 P18124 1/20 0.38
RPL17 P18621 1/20 0.38
RPS4Y1 P22090 1/20 0.38
RPS3 P23396 1/20 0.38
RPS12 P25398 1/20 0.38

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
SCHEMBL7366435 0.73 MBTPS1 (0.47) MBTPS1HTR2CHTR2BKCNH2ALOX5
SCHEMBL7372177 0.72 LTA4H (0.46) LTA4HPARP10ALOX5FFAR1FFAR4
SCHEMBL7370862 0.72 MBTPS1 (0.48) MBTPS1CACNA1BKCNH2
SCHEMBL8637317 0.69 MBTPS1 (0.49) MBTPS1LTA4HKCNH2
SCHEMBL16527961 0.69 PYGL (0.46) MBTPS1KCNH2RPS6KB1
SCHEMBL7041151 0.69 CACNA1B (0.77) MBTPS1HTR2CHTR2BCACNA1BNPC1
SCHEMBL27936854 0.68 CTSD (0.50) KCNH2RPS6KB1
SCHEMBL27936852 0.68 CTSD (0.50) KCNH2RPS6KB1
SCHEMBL5143426 0.68 CTSD (0.55) KCNH2
SCHEMBL1623585 0.68 CTSD (0.55) KCNH2

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
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed