SCHEMBL14435251

SCHEMBL14435251

CC[C@@H](COc1cc(Cl)ccc1C1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2F)CC1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ MC4R P32245 9/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ PROKR1 Q8TCW9 4/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL14435281 1.00 ADAM17 (0.39) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL14435238 0.90 ADAM17 (0.43) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL14435248 0.90 ADAM17 (0.43) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL14435274 0.86 PROKR1 (0.41) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL12713270 0.84 HTR7 (0.39) ADAM17ADAMTS5MC4RAKT1AKT2
SCHEMBL14435273 0.82 ADAM17 (0.39) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL14436415 0.82 HDAC8 (0.46) ADAM17ADAMTS5MC4RAKT1AKT2
SCHEMBL14436419 0.82 HDAC8 (0.46) ADAM17ADAMTS5MC4RAKT1AKT2
SCHEMBL14435240 0.81 ADAM17 (0.42) ADAM17ADAMTS5MC4RMC5RMC3R
SCHEMBL14435242 0.81 ADAM17 (0.42) ADAM17ADAMTS5MC4RMC5RMC3R

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-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
Send feedback