SCHEMBL7412259

SCHEMBL7412259

O=C(c1ccc(F)cc1)C1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.71
HTR2A P28223 4/20 0.68
CCR3 P51677 3/20 0.61
HTR2C P28335 1/20 0.60
HTR7 P34969 1/20 0.60
HTR6 P50406 1/20 0.60

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
SCHEMBL7417801 0.90 MCHR1 (0.68) MCHR1HTR2ACCR3
SCHEMBL6210244 0.89 HTR2A (0.69) MCHR1HTR2ACCR3HTR2CHTR7
SCHEMBL7415439 0.88 MCHR1 (0.72) MCHR1HTR2ACCR3
SCHEMBL7410338 0.88 MCHR1 (0.60) MCHR1HTR2ACCR3
SCHEMBL7414680 0.87 DRD4 (0.66) MCHR1HTR2A
SCHEMBL7412406 0.86 MEN1 (0.66) MCHR1CCR3
SCHEMBL228242 0.85 HTR2A (0.76) MCHR1HTR2AHTR2C
SCHEMBL1431310 0.83 ACHE (0.61) HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL10339587 0.82 ACHE (0.60) HTR2AHTR2CHTR7HTR6
SCHEMBL6531855 0.82 HTR2A (0.69) HTR2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed