SCHEMBL6699701

SCHEMBL6699701

COC(=O)C1(Cc2ccccn2)CN(C(=O)OC(C)(C)C)CCN1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GRM5 P41594 1/20 0.39
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
DTYMK P23919 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL5229398 0.87 MEN1 (0.43) GPR119POLBACHEKDM4EALDH1A1
SCHEMBL5232418 0.79 KDM1A (0.41) KDM4EALDH1A1KDM1A
SCHEMBL5226196 0.78 MAPK1 (0.44) GPR119POLBACHEUSP30GRM5
SCHEMBL5226349 0.78 GRM5 (0.43) GPR119POLBACHEUSP30GRM5
SCHEMBL31163752 0.78 GRM5 (0.43) GPR119POLBACHEUSP30GRM5
SCHEMBL5226353 0.78 GRM5 (0.43) GPR119POLBACHEUSP30GRM5
SCHEMBL5226358 0.78 GRM5 (0.43) GPR119POLBACHEUSP30GRM5
SCHEMBL31735194 0.75 GPR119 (0.46) GPR119POLBACHEUSP30GRM5
SCHEMBL31735206 0.74 GPR119 (0.47) GPR119POLBUSP30GRM5KDR
SCHEMBL5231362 0.74 MEN1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002802-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER PROD INC (US) 2004-12-08 EP disclosed
US-6194578-B1 GROWTH HORMONE SECRETAGOGUES; USEFUL FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS AND/OR FRAILTY, INSULIN RESISTANCE IN MAMMALS, CONGESTIVE HEART FAILURE, OBESITY, ACCELERATING BONE FRACTURE REPAIR REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2001-02-27 US disclosed
EP-1002802-A1 Dipeptide derivatives as growth hormone secretagogues Pfizer Products Inc. (US) 2000-05-24 EP disclosed