SCHEMBL6693596

SCHEMBL6693596

COC1=CC(=O)N2CCN(C(=O)OC(C)(C)C)CC12Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.40
CYP11B2 P19099 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ACHE P22303 2/20 0.39
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL5224568 0.83 GPR119 (0.42) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL5227965 0.78 GPR119 (0.41) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL5228646 0.78 ACHE (0.38) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL5226491 0.78 ACHE (0.38) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL7899507 0.77 GHSR (0.42)
SCHEMBL7899504 0.77 GHSR (0.42)
SCHEMBL5230587 0.77 USP30 (0.43) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL7538881 0.77 PDE10A (0.39) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL5228784 0.76 USP30 (0.44) DTYMKCYP11B2GPR119ACHEPOLB
SCHEMBL5225116 0.76 GPR119 (0.43) DTYMKCYP11B2GPR119ACHEPOLB

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