SCHEMBL8314716

SCHEMBL8314716

Fc1ccc(-c2ccccc2C=C2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.48
HTR2C P28335 9/20 0.37
HTR2B P41595 8/20 0.37
HTR2A P28223 7/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1E P28566 1/20 0.37
HTR6 P50406 1/20 0.37
HTR3A P46098 1/20 0.37
HTR5A P47898 1/20 0.37
PRCP P42785 1/20 0.36
PTGS2 P35354 2/20 0.35
NR4A2 P43354 1/20 0.35
PTGS1 P23219 1/20 0.35
MLNR O43193 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
Hydrochloric Acid SCHEMBL10600743 0.98 HTR7 (0.47) HTR7HTR2CHTR2BHTR2AHTR1A
SCHEMBL8314577 0.84 SIGMAR1 (0.40) HTR7HTR2CHTR2BHTR2AHTR1A
SCHEMBL8316750 0.81 HTR1A (0.51) HTR7HTR2CHTR2BHTR2AHTR1A
Hydrochloric Acid SCHEMBL10601953 0.79 HTR7 (0.42) HTR7HTR2CHTR2BHTR2AHTR1A
SCHEMBL12751291 0.76 IKBKB (0.51) HTR7HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL6979971 0.75 IKBKB (0.50) HTR7HTR2CHTR2BHTR2A
SCHEMBL8313295 0.75 CHRM1 (0.55) HTR7HTR2CHTR2BHTR2A
SCHEMBL8315728 0.74 PRCP (0.42) HTR7HTR2CHTR2BHTR2AHTR1A
SCHEMBL20015685 0.72 IKBKB (0.48) HTR7HTR2CHTR2BHTR2AHTR1A
SCHEMBL8316812 0.72 NISCH (0.40) HTR7HTR2CHTR2AHTR1AHTR1D

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed
EP-0401707-A1 Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed