SCHEMBL14048408

SCHEMBL14048408

CN(C(=O)C(I)CCC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MC4R P32245 7/20 0.38
▸ MC3R P41968 7/20 0.38
▸ MC1R Q01726 7/20 0.38
▸ GHSR Q92847 2/20 0.37
▸ CYP51A1 Q16850 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ PYGL P06737 1/20 0.35
▸ PYGM P11217 1/20 0.35

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
SCHEMBL866941 0.84 OPRD1 (0.41) OPRD1F2MC4RMC3RMC1R
SCHEMBL867816 0.84 GHSR (0.54) OPRD1F2MC4RMC3RMC1R
SCHEMBL867815 0.84 GHSR (0.54) OPRD1F2MC4RMC3RMC1R
SCHEMBL866940 0.84 OPRD1 (0.41) OPRD1F2MC4RMC3RMC1R
SCHEMBL1401582 0.80 F2 (0.48) OPRD1F2MC4RMC3RMC1R
SCHEMBL867797 0.79 GHSR (0.56) OPRD1F2GHSRCYP51A1TACR1
SCHEMBL867796 0.79 GHSR (0.56) OPRD1F2GHSRCYP51A1TACR1
SCHEMBL868098 0.79 OPRD1 (0.44) OPRD1F2GHSRCYP51A1TACR1
SCHEMBL868099 0.79 OPRD1 (0.44) OPRD1F2GHSRCYP51A1TACR1
SCHEMBL10039192 0.79 GHSR (0.54) OPRD1MC4RMC3RMC1RGHSR

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
WO-2008124183-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-10-16 — — WO disclosed
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