SCHEMBL7655813

SCHEMBL7655813

CC(C)(C)OC(=O)N1CCC(C2CCN(c3cc(=O)[nH]cn3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.61
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL2950997 0.89 CKS1B (0.49) GPR119KDM4EMAPTTHRB
SCHEMBL7656337 0.80 GPR119 (0.58) GPR119KDM4EMAPTTHRB
SCHEMBL3486495 0.79 GPR119 (0.72) GPR119
SCHEMBL3486712 0.78 GPR119 (0.71) GPR119
SCHEMBL3487280 0.77 GPR119 (0.70) GPR119
SCHEMBL3485950 0.77 GPR119 (0.70) GPR119
SCHEMBL3486953 0.77 GPR119 (0.70) GPR119KDM4EMAPTTHRB
SCHEMBL3486485 0.76 GPR119 (0.69) GPR119
SCHEMBL3486065 0.76 GPR119 (0.72) GPR119
SCHEMBL3485783 0.76 GPR119 (0.69) GPR119

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
US-6498161-B1 TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS MERCK & CO., INC. 2002-12-24 US disclosed
WO-2000059498-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed