SCHEMBL8150484

SCHEMBL8150484

CCCNC(=O)NCCc1c[nH]c2ncc(OC)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.77
MTNR1B P49286 11/20 0.77
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A1 P04798 1/20 0.49
MPO P05164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
NQO2 P16083 1/20 0.49
HTR2B P41595 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP1B1 Q16678 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL8158265 0.89 MTNR1A (0.78) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL8137831 0.87 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL8135627 0.87 MTNR1A (1.00) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL6075502 0.84 MTNR1A (0.54) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL7019542 0.84 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL25028266 0.80 MTNR1A (0.67) MTNR1AMTNR1BMPOCYP1A2
SCHEMBL9123376 0.80 MTNR1A (1.00) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL25030269 0.80 MTNR1B (0.70) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL8152799 0.77 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL855990 0.77 MTNR1A (0.49) MTNR1AMTNR1BMEN1KMT2ACYP1A2

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-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed