SCHEMBL16334287

SCHEMBL16334287

N#Cc1cc(N)cnc1N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
ALDH1A1 P00352 6/20 0.50
RXFP1 Q9HBX9 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 7/20 0.48
GFER P55789 1/20 0.48
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
SLC2A1 P11166 2/20 0.43
SLC2A2 P11168 2/20 0.43
SLC2A3 P11169 2/20 0.43
DHFR P00374 1/20 0.43
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL16334307 0.83 MAPT (0.68) DRD2HTR2AALDH1A1RXFP1RAB9A
SCHEMBL16334630 0.83 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23168043 0.82 CNR2 (0.50) ALDH1A1RXFP1RAB9AMEN1KMT2A
SCHEMBL30152422 0.82 CNR2 (0.50) ALDH1A1RXFP1RAB9AMEN1KMT2A
SCHEMBL16245768 0.82 ALDH1A1 (0.51) DRD2HTR2AALDH1A1RXFP1RAB9A
SCHEMBL30852648 0.81 KDM4E (0.49) ALDH1A1RXFP1RAB9AMEN1KMT2A
SCHEMBL30852546 0.81 ALDH1A1 (0.51) ALDH1A1RXFP1KMT2AHPGDKDM4E
SCHEMBL14923786 0.81 ALDH1A1 (0.51) ALDH1A1RXFP1KMT2AHPGDKDM4E
SCHEMBL22279004 0.81 CNR2 (0.52) ALDH1A1RXFP1RAB9AMEN1KMT2A
SCHEMBL16334419 0.80 AR (0.48) ALDH1A1RXFP1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed