SCHEMBL6178328

SCHEMBL6178328

CCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c(Br)cc(C#CCN3CCOC3=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.48
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SCN9A Q15858 1/20 0.30

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
SCHEMBL6178000 0.89 GHSR (0.60) GHSRNPC1RAB9AOPRM1OPRD1
SCHEMBL6179750 0.89 GHSR (0.48) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL6178327 0.83 GHSR (0.48) GHSR
SCHEMBL6176647 0.81 GHSR (0.57) GHSR
SCHEMBL6182083 0.81 GHSR (0.56) GHSR
SCHEMBL6182085 0.81 GHSR (0.52) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL6182042 0.79 GHSR (0.61) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL2577092 0.78 GHSR (0.62) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL6181657 0.77 GHSR (0.59) GHSR
SCHEMBL6180161 0.75 GHSR (0.77) GHSR

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
EP-1105376-B1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMA (JP) 2005-02-09 EP disclosed
US-6576656-B1 Such as 1-(2-diethylaminoethyl)-4-trifluoromethyl-6-carbamoyl-3-hydroxy-3-(2 -chlorophenyl)oxindole; growth hormone releaser SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2003-06-10 US disclosed