SCHEMBL30100746

SCHEMBL30100746

NN1C(=O)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CYP2A6 P11509 1/20 0.43
SRD5A1 P18405 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2A P28223 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B3 P37058 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL3389475 1.00 POLB (0.51) POLBCYP2A6SRD5A1OPRM1OPRK1
SCHEMBL8164410 0.88 MEN1 (0.50) POLBCYP2A6MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1977939 0.86 MEN1 (0.49) POLBCYP2A6MEN1KMT2ASMN1; SMN2
SCHEMBL11677341 0.84 HTR2A (0.50) POLBSRD5A1OPRM1OPRK1HTR2A
Hydrochloric Acid SCHEMBL11818641 0.82 HTR2A (0.48) POLBSRD5A1OPRM1OPRK1HTR2A
SCHEMBL1462133 0.81 HPGD (0.55) CYP2A6OPRM1OPRK1OPRL1MEN1
SCHEMBL30642087 0.81 HPGD (0.55) CYP2A6OPRM1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL27671303 0.79 HPGD (0.53) CYP2A6OPRM1OPRK1OPRL1MEN1
SCHEMBL26077071 0.79 HRH1 (0.51) POLBCYP2A6SRD5A1MEN1KMT2A
SCHEMBL761220 0.75 SRD5A1 (0.54) POLBCYP2A6SRD5A1OPRM1OPRK1

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-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed