SCHEMBL7656337

SCHEMBL7656337

CC(C)(C)OC(=O)N1CCC(C2CCN(c3cc(=O)[nH]c(Cl)n3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.58
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL3485922 0.81 GPR119 (0.61) GPR119
SCHEMBL3486596 0.80 GPR119 (0.72) GPR119
SCHEMBL3486810 0.80 GPR119 (0.72) GPR119
SCHEMBL7655813 0.80 GPR119 (0.61) GPR119KDM4EMAPTTHRB
SCHEMBL3486720 0.79 GPR119 (0.59) GPR119
SCHEMBL3485938 0.77 GPR119 (0.74) GPR119
SCHEMBL3486533 0.77 GPR119 (0.67) GPR119
SCHEMBL3486432 0.77 GPR119 (0.67) GPR119
SCHEMBL3486712 0.76 GPR119 (0.71) GPR119
SCHEMBL3486232 0.76 GPR119 (0.68) 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