SCHEMBL9672004

SCHEMBL9672004

N#CCCCN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR2C P28335 3/20 0.66
HTR7 P34969 3/20 0.66
HTR6 P50406 3/20 0.66
KDM4E B2RXH2 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL9226763 0.92 HTR2A (0.69) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL14318600 0.86 HTR2A (0.81) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL7246842 0.85 HTR2A (0.71) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL4160545 0.85 HTR2A (0.71) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL16481601 0.84 HTR2A (0.71) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL9726195 0.84 HTR2A (0.69) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL9396999 0.84 HTR2A (0.69) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL11939045 0.84 HTR2A (0.69) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL9670980 0.83 HTR2A (0.64) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL11932544 0.83 HTR2A (0.64) HTR2AHTR2CHTR7HTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184258-B1 NOVEL DERIVATIVES OF HYDROXY- OR AMINO-SUBSTITUTED (PIPERIDINYLALKYL)QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-06 EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed