SCHEMBL8102755

SCHEMBL8102755

COc1ccc(F)c([C@@H]2C[C@H]2CN)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.60
HTR2B P41595 16/20 0.60
HTR2A P28223 15/20 0.60
DPP4 P27487 1/20 0.50

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
SCHEMBL8102751 1.00 HTR2C (0.60) HTR2CHTR2BHTR2ADPP4
SCHEMBL6857793 0.83 HTR2C (0.64) HTR2CHTR2BHTR2A
SCHEMBL17962683 0.75 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL8097737 0.74 FFAR1 (0.52)
SCHEMBL8097739 0.74 FFAR1 (0.52)
SCHEMBL28635476 0.73 HTR2C (0.78) HTR2CHTR2BHTR2A
SCHEMBL8097678 0.72 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL15255093 0.72 HTR2C (0.64) HTR2CHTR2BHTR2A
SCHEMBL8097675 0.72 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL15255094 0.72 HTR2C (1.00) HTR2CHTR2BHTR2A

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-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed