SCHEMBL19839752

SCHEMBL19839752

NC1=NC(CCc2ccccc2)(c2cccnc2)CS1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
CYP3A4 P08684 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.35
CHRNA7 P36544 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL9833613 0.70 BACE1 (0.49) BACE1
SCHEMBL11307514 0.62 MEN1 (0.43) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL10155295 0.62 BACE1 (0.54) BACE1TAAR1
SCHEMBL8700016 0.62 CYP1A2 (0.66) CHRNA7CYP2A6
Phenethylamine SCHEMBL28297992 0.60 CHRNA7 (0.67) CYP3A4CHRNA7TAAR1CYP2A6MAOA
SCHEMBL8200325 0.59 CYP2A6 (0.68) CHRNA7CYP2A6
SCHEMBL8199794 0.59 TDP1 (0.71) CHRNA7CYP2A6
SCHEMBL12040598 0.58 HRH1 (0.72) CHRNA7CYP2A6
SCHEMBL13098626 0.58 HRH1 (0.72) CHRNA7CYP2A6
SCHEMBL9792691 0.58 ALDH1A1 (0.39) CYP3A4OPRM1OPRL1MEN1KMT2A

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-3493803-A1 GP130 MODULATORS The Regents of The University of California (US) 2019-06-12 EP disclosed
WO-2018027193-A1 GP130 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-08 WO disclosed