SCHEMBL7658016

SCHEMBL7658016

CC(C)(C)OC(=O)N1CCC2(CC1)CC(Cc1ccc(F)cc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MGLL Q99685 2/20 0.43
GPR119 Q8TDV5 5/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
POLB P06746 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL6823295 0.89 GPR119 (0.48) MGLLGPR119
SCHEMBL7665691 0.81 SSTR5 (0.52) CNR1CNR2MGLLGPR119MEN1
SCHEMBL4773466 0.81 TP53 (0.54) GPR119MEN1KMT2APOLB
SCHEMBL20396156 0.81 NR1H2 (0.48) MGLLGPR119
SCHEMBL24753001 0.79 USP2 (0.42) MGLLGPR119
SCHEMBL22880963 0.79 USP2 (0.42) MGLLGPR119
SCHEMBL16466248 0.78 FFAR4 (0.50) MGLLGPR119FFAR4
SCHEMBL17296109 0.78 NAMPT (0.48) MEN1KMT2AHDAC1HDAC2
SCHEMBL18418328 0.78 NAMPT (0.41) GPR119
SCHEMBL26388302 0.77 ALDH1A1 (0.44) GPR119FFAR1

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