SCHEMBL9628209

SCHEMBL9628209

CNC(C)CCCc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.49
SLC6A4 P31645 2/20 0.49
HSPA5 P11021 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
MGLL Q99685 1/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR1A P08908 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL487002 0.87 TAAR1 (0.45) SLC6A4TAAR1CYP2D6
SCHEMBL678668 0.82 MPO (0.50) MPOSLC6A4HSPA5TAAR1MGLL
SCHEMBL28957063 0.80 MPO (0.49) MPOSLC6A4HSPA5TAAR1MGLL
SCHEMBL18807140 0.79 MPO (0.47) MPOSLC6A4HSPA5TAAR1MGLL
SCHEMBL4740026 0.78 CYP2D6 (0.54) SLC6A4HSPA5TAAR1POLBMAPK1
SCHEMBL15570944 0.78 CYP2D6 (0.54) SLC6A4HSPA5TAAR1POLBMAPK1
SCHEMBL31611864 0.78 CYP2D6 (0.54) SLC6A4HSPA5TAAR1POLBMAPK1
SCHEMBL11573650 0.78 MGLL (0.44) MPOSLC6A4HSPA5TAAR1MGLL
SCHEMBL7332508 0.77 MPO (0.46) MPOSLC6A4HSPA5TAAR1MGLL
SCHEMBL9627286 0.77 TAAR1 (0.50) MPOTAAR1CA12CA2CA9

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed