SCHEMBL31684471

SCHEMBL31684471

CCOc1cc(C2(N)CCc3nc(N)sc3C2)ccc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.32
TRPA1 O75762 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31684735 0.90 ADORA1 (0.33) DRD2DRD3ALDH1A1
SCHEMBL31684544 0.86 ALDH1A1 (0.33) RAD52RECQLDRD2DRD3ALDH1A1
SCHEMBL31684516 0.84 APOBEC3A (0.33) TSHRHSD17B10
SCHEMBL31684728 0.79 NOTUM (0.43) RAD52RECQLDRD2DRD3ALDH1A1
SCHEMBL31684474 0.79 NOTUM (0.43) RAD52RECQLDRD2DRD3ALDH1A1
SCHEMBL31684583 0.79 NOTUM (0.43) RAD52RECQLDRD2DRD3ALDH1A1
SCHEMBL31684671 0.78 ADORA1 (0.43) DRD2ALDH1A1
SCHEMBL31684709 0.77 CFTR (0.35) DRD2DRD3ALDH1A1CYP3A4
SCHEMBL31684574 0.76 EPHX2 (0.37) RAD52DRD2DRD3ALDH1A1TSHR
SCHEMBL31684627 0.76 ADORA1 (0.35) DRD2DRD3ALDH1A1

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
EP-4617263-A1 ARYL-CONTAINING AMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2025-09-17 EP disclosed