SCHEMBL27723637

SCHEMBL27723637

COc1ccccc1-c1cc(C(F)(F)F)cc2c1O[CH]C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
CETP P11597 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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
SCHEMBL5058872 0.89 SMN1; SMN2 (0.47) GPBAR1TSHRHSD17B10HTTRAB9A
SCHEMBL27703038 0.83 HTR7 (0.38) HSD17B10HTTRAB9ASMN1; SMN2HTR7
SCHEMBL4712286 0.83 TACR1 (0.38) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL27703250 0.81 HTR7 (0.39) HSD17B10HTTRAB9ASMN1; SMN2TP53
SCHEMBL27703070 0.81 GPBAR1 (0.36) GPBAR1HTR7
SCHEMBL5583754 0.81 NOTUM (0.34) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL27703057 0.80 TACR1 (0.37) GPBAR1CETPRAB9ASMN1; SMN2TP53
SCHEMBL27723628 0.80 HTR7 (0.41) HSD17B10SMN1; SMN2HTR7KDM4EL3MBTL1
SCHEMBL4766805 0.78 PTGDR2 (0.42) RAB9ASMN1; SMN2NPSR1TP53PGR
SCHEMBL4596883 0.78 GPBAR1 (0.37) GPBAR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN claimed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN claimed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN disclosed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN disclosed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN disclosed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN disclosed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN disclosed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN disclosed