SCHEMBL3667964

SCHEMBL3667964

COc1ccc(N2CCN([C]=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.54
DRD2 P14416 1/20 0.54
AKR1C3 P42330 1/20 0.53
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL28599511 0.84 HTR3E (0.73) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL29656856 0.84 HTR3E (0.73) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL9671046 0.82 HTR3E (0.56) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL2359934 0.81 ADRB1 (0.59) ADRB1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL28432321 0.79 MAPT (0.64) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL8984715 0.79 ADRB1 (0.52) L3MBTL1ADRB1LMNASMN1; SMN2MAPT
SCHEMBL15887431 0.79 HTR3E (0.61) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL3047529 0.78 L3MBTL1 (0.53) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL14362730 0.77 HTR3E (0.63) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL6153220 0.77 ALDH1A1 (0.66) L3MBTL1HTR3EHTR3BADRB1HTR3A

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-2146990-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145839-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO disclosed