SCHEMBL9670980

SCHEMBL9670980

N#CCN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.64
HTR2C P28335 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD11B1 P28845 1/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
Methane SCHEMBL11013320 0.99 HTR2A (0.63) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL14282300 0.90 HTR2A (0.66) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL9226763 0.86 HTR2A (0.69) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL14318600 0.84 HTR2A (0.81) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL9672004 0.83 HTR2A (0.66) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL8166893 0.82 LMNA (0.46) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL11107232 0.82 HTR2A (0.68) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL7325474 0.82 HTR2A (0.68) HTR2AHTR2CHTR7HTR6LMNA
SCHEMBL11190556 0.82 SIGMAR1 (0.69) HTR2AHTR2C
SCHEMBL9499649 0.81 SMN1; SMN2 (0.69) HTR2AHTR2CHTR7HTR6LMNA

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 6 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
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
US-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 US disclosed
EP-0184258-A2 Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP disclosed