SCHEMBL6561348

SCHEMBL6561348

OOc1ccccc1-c1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.59
NR1H3 Q13133 7/20 0.59
HPGDS O60760 1/20 0.54
ADORA2A P29274 2/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
DGAT1 O75907 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 2/20 0.49
TP53 P04637 1/20 0.49
ALPL P05186 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL6560810 0.79 ADORA2A (0.76) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL10713687 0.76 NR1H2 (0.56) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL646494 0.76 NR1H2 (0.76) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL28148107 0.76 NR1H2 (0.65) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL6561489 0.76 HTR7 (0.62) NR1H2NR1H3HPGDSSMN1; SMN2ALDH1A1
SCHEMBL666693 0.75 NR1H2 (1.00) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL17280024 0.74 NR1H2 (0.61) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL17574086 0.74 NR1H2 (0.96) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL1071190 0.74 NR1H2 (0.96) NR1H2NR1H3HPGDSADORA2ANPC1
SCHEMBL26109969 0.74 NR1H2 (0.96) NR1H2NR1H3HPGDSADORA2ANPC1

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
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed