SCHEMBL23714748

SCHEMBL23714748

CCC1(CCc2ccc(Br)cc2)COC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
HTR2A P28223 1/20 0.38
HMOX1 P09601 2/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 1/20 0.35
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
CXCR3 P49682 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KCNH2 Q12809 1/20 0.33
FPR2 P25090 1/20 0.31

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
SCHEMBL29227998 0.91 KCNH2 (0.37) TAAR1KCNH2
SCHEMBL24299811 0.89 KCNH2 (0.39) TAAR1HTR2AHMOX1POLBCTDSP1
SCHEMBL29053735 0.83 TAAR1 (0.39) TAAR1KDM1ARCOR1
SCHEMBL8018437 0.82 ALDH1A1 (0.38) TAAR1OPRM1OPRL1KDM1A
SCHEMBL24126184 0.80 IDO1 (0.36)
SCHEMBL28801476 0.79
SCHEMBL10071617 0.76 IDO1 (0.38) POLBKDM1ARCOR1
SCHEMBL3182495 0.75 TDP1 (0.37) TAAR1HTR2AKCNH2
SCHEMBL13028068 0.74 FAAH (0.34) TAAR1OPRM1OPRL1KCNH2
SCHEMBL31589139 0.73 TSHR (0.34) POLBKCNH2

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-3859806-A1 ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC ELEMENT Showa Denko Materials Co., Ltd. (JP) 2021-08-04 EP disclosed