SCHEMBL9640646

SCHEMBL9640646

CC(C)(C)N1CC(c2cccc(C(F)(F)F)c2)OCC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
HTR2B P41595 2/20 0.52
CHRM2 P08172 1/20 0.52
DRD3 P35462 1/20 0.52
DRD2 P14416 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.41
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
TEAD1 P28347 1/20 0.38
FFAR1 O14842 2/20 0.38
HSD17B2 P37059 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
SCHEMBL2297588 0.85 RIPK1 (0.38) HTR1AHTR2BCHRM2DRD3
SCHEMBL2295427 0.85 RIPK1 (0.38) HTR1AHTR2BCHRM2DRD3
SCHEMBL13395498 0.82 HTR1A (0.48) HTR1AHTR2BCHRM2DRD3DRD2
SCHEMBL9640858 0.82 MDM2 (0.49) HTR2BHTR2CHTR2AHSD17B2
SCHEMBL9640958 0.81 TSHR (0.40) HTR1AHTR2B
SCHEMBL2296887 0.76 MEN1 (0.41) MOGAT2
SCHEMBL2294966 0.76 MEN1 (0.41) MOGAT2
SCHEMBL9641532 0.74 DRD3 (0.67) HTR1AHTR2BCHRM2DRD3DRD2
Hydrochloric Acid SCHEMBL9641236 0.73 DRD3 (0.66) HTR1AHTR2BCHRM2DRD3DRD2
SCHEMBL2295159 0.73 MDM2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290122-B1 MORPHOLINE DERIVATIVES AND THEIR USE BEECHAM GROUP PLC (GB) 1992-12-23 EP disclosed
US-5082840-A Animal growth regulators BEECHAM GROUP P.L.C. (GB) 1992-01-21 US disclosed
US-4914202-A FOR IMPROVING FEED EFFICIENCY IN LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1990-04-03 US disclosed
EP-0290122-A1 Morpholine derivatives and their use BEECHAM GROUP PLC (GB) 1988-11-09 EP disclosed