SCHEMBL7135478

SCHEMBL7135478

COc1ccc2c(c1)CCC2C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
DRD1 P21728 1/20 0.48
SRD5A1 P18405 2/20 0.47
HTR2C P28335 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNA7 P36544 1/20 0.46
PPARD Q03181 2/20 0.44
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B1 P14061 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12776266 0.85 CYP19A1 (0.50) CYP19A1DRD1SRD5A1HTR2CDRD2
SCHEMBL27482346 0.80 PPARD (0.46) PPARD
SCHEMBL630429 0.79 CYP24A1 (0.57) CYP19A1HTR2CDRD2
SCHEMBL1400671 0.78 PPARG (0.53) CYP19A1DRD1SRD5A1HTR2CPPARD
SCHEMBL1400327 0.78 PPARG (0.53) CYP19A1DRD1SRD5A1HTR2CPPARD
SCHEMBL12084123 0.76 CHRNA7 (0.48) CYP19A1DRD1HTR2CCHRNA7
SCHEMBL8068811 0.76 HTR2C (0.64) CYP19A1DRD1SRD5A1HTR2CDRD2
SCHEMBL31525384 0.76 HTR2C (0.64) CYP19A1DRD1SRD5A1HTR2CDRD2
SCHEMBL16944438 0.76 HTR2C (0.64) CYP19A1DRD1SRD5A1HTR2CDRD2
SCHEMBL28110047 0.75 SRD5A1 (0.51) CYP19A1DRD1SRD5A1HTR2CDRD2

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
US-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 US disclosed
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 US disclosed
EP-0861235-B1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER (US) 2001-11-07 EP disclosed
EP-1114817-A1 Substituted benzylamino piperidine compounds PFIZER INC. (US) 2001-07-11 EP disclosed