SCHEMBL5019356

SCHEMBL5019356

CCNC1COc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 10/20 0.41
SLC6A3 Q01959 5/20 0.41
CYP2D6 P10635 8/20 0.41
HTR2B P41595 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL31595597 0.82 HTR2A (0.50) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5019354 0.82 HTR2A (0.50) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL9825823 0.80 CYP19A1 (0.39) HTR2ASLC6A2SLC6A4SLC6A3HTR2B
SCHEMBL506553 0.79 PDPK1 (0.46) HTR2ALTB4RLTB4R2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30799506 0.77 PDPK1 (0.44) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL10558181 0.75 LTB4R (0.40) HTR2ALTB4RLTB4R2SLC6A2SLC6A4
SCHEMBL27198041 0.75 TRPV1 (0.39) HTR2ALTB4RLTB4R2SLC6A4HTR2B
SCHEMBL31040814 0.75 TRPV1 (0.39) HTR2ALTB4RLTB4R2SLC6A4HTR2B
SCHEMBL24915634 0.75 LTB4R (0.45) HTR2ALTB4RLTB4R2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31137332 0.74 TRPV1 (0.39) LTB4RLTB4R2POLB

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
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed