SCHEMBL8312174

SCHEMBL8312174

COCc1ccc(-c2ncccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC1 Q13547 1/20 0.43
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL10227481 0.83 HPGD (0.58) TRPV1CNR2HDAC1HPGDCYP1A2
SCHEMBL16879478 0.80 ALDH1A1 (0.59) TRPV1CNR2HDAC1HPGDNPC1
SCHEMBL7683450 0.80 CNR2 (0.47) TRPV1CNR2HDAC1HPGDCYP1A2
SCHEMBL2471399 0.78 ESR2 (0.53) TRPV1CNR2HDAC1HPGDALDH1A1
SCHEMBL7675508 0.78 TRPV1 (0.50) TRPV1CNR2HDAC1SMN1; SMN2KCNH2
SCHEMBL17116613 0.76 CNR2 (0.51) TRPV1CNR2HDAC1HPGDALDH1A1
SCHEMBL29768457 0.76 HDAC1 (0.51) TRPV1CNR2HDAC1HPGDALDH1A1
SCHEMBL1146096 0.76 HDAC1 (0.51) TRPV1CNR2HDAC1HPGDALDH1A1
SCHEMBL6953214 0.75 ESR2 (0.59) CNR2NAAA
SCHEMBL24185307 0.74 CNR2 (0.50) TRPV1CNR2HDAC1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017023-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed