SCHEMBL11225534

SCHEMBL11225534

CC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.64
▸ ECE1 P42892 8/20 0.63
▸ LTA4H P09960 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ MME P08473 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ OPRD1 P41143 1/20 0.58

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
SCHEMBL11225545 1.00 ACE (0.64) ACEECE1LTA4HALOX15MME
Hydrochloric Acid SCHEMBL11235229 0.99 ACE (0.63) ACEECE1LTA4HALOX15MME
Hydrochloric Acid SCHEMBL11220969 0.99 ACE (0.63) ACEECE1LTA4HALOX15MME
Hydrochloric Acid SCHEMBL11220975 0.99 ACE (0.63) ACEECE1LTA4HALOX15MME
SCHEMBL30053206 0.96 ACE (0.61) ACEECE1LTA4HMMEOPRM1
SCHEMBL30050967 0.95 ACE (0.68) ACEECE1ALOX15
SCHEMBL31220181 0.95 CASP1 (0.60) ACEECE1LTA4HALOX15MME
SCHEMBL30093097 0.93 ACE (0.66) ACEECE1ALOX15
SCHEMBL30093080 0.93 ACE (0.66) ACEECE1ALOX15
SCHEMBL30786597 0.93 ECE1 (0.59) ACEECE1OPRM1OPRD1

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-4356118-A Tryptophan derivatives G. D. SEARLE & CO. (US) 1982-10-26 — — US disclosed
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