SCHEMBL6421671

SCHEMBL6421671

OCC=C(c1ccccc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2B P18089 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GMNN O75496 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 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
SCHEMBL6421667 1.00 KMT2A (0.50) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL16540048 0.84 KMT2A (0.49) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL16540050 0.84 KMT2A (0.49) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL10568467 0.81 TDP1 (0.52) KMT2ACYP2D6TDP1
SCHEMBL10568471 0.81 TDP1 (0.52) KMT2ACYP2D6TDP1
SCHEMBL22660166 0.79 KMT2A (0.55) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL14288482 0.79 HDAC1 (0.50) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL4630812 0.78 MTNR1A (0.48) ALDH1A1TDP1NPSR1L3MBTL1HDAC1
SCHEMBL14288483 0.78 HDAC1 (0.52) KMT2ALMNAMEN1ALDH1A1CHRM1
SCHEMBL2773353 0.76 CYP19A1 (0.56) KMT2ALMNAALDH1A1CYP2D6TDP1

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
WO-2015028960-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-03-05 WO disclosed
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed