SCHEMBL6183944

SCHEMBL6183944

CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
BTK Q06187 1/20 0.38
EPHX1 P07099 1/20 0.37
PREP P48147 1/20 0.36
NR1H3 Q13133 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 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
SCHEMBL6487183 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL6181758 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL7425391 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL7556352 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL7559120 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL7565562 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL3700523 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL6184784 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL24113374 0.94 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL25362467 0.94 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187614-A4 SUBSTITUTED PIPERIDINES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-22 EP disclosed
EP-1187614-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
US-6350760-B1 OBESITY, DIABETES, SEXUAL DYSFUNCTION; MERCK & CO., INC. 2002-02-26 US disclosed
WO-2000074679-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2000-12-14 WO disclosed