SCHEMBL7373750

SCHEMBL7373750

CCN(C(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1)C1CCCCN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CCR5 P51681 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL7442464 0.80 SYK (0.42) HTR2CHTR2BRAB9A
SCHEMBL7366435 0.77 MBTPS1 (0.47) ALOX5HTR2CHTR2BTRPM8KCNH2
SCHEMBL7368517 0.77 CACNA1B (0.47) ALOX5KCNH2PARP10
SCHEMBL7370864 0.75 MBTPS1 (0.52) ALOX5KCNH2
SCHEMBL3183974 0.70 HTR2C (0.49) HTR2CHTR2B
SCHEMBL7372181 0.69 ALOX5 (0.51) ALOX5L3MBTL1PARP10
SCHEMBL2170633 0.67 ALOX5 (0.67) ALOX5RAB9APARP10
SCHEMBL7369242 0.67 DPP7 (0.59) ALOX5RAB9APARP10
SCHEMBL7761599 0.66 NR4A1 (0.62) ALOX5PARP10
SCHEMBL14014011 0.66 LTA4H (0.48) ALOX5RAB9AL3MBTL1

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