SCHEMBL25475293

SCHEMBL25475293

O=C(CCS)OC1(c2ccccc2)CCNC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
OPRM1 P35372 5/20 0.40
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
DRD3 P35462 1/20 0.37
ACE P12821 1/20 0.36
TACR1 P25103 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
SCHEMBL25475294 0.92 OPRM1 (0.38) HTR2AOPRM1OPRD1OPRK1DRD3
SCHEMBL25475280 0.92 OPRM1 (0.45) HTR2AOPRM1OPRD1OPRK1DRD3
SCHEMBL25475388 0.89 HTR2A (0.42) HTR2AOPRM1OPRD1OPRK1DRD3
SCHEMBL25737512 0.84 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL25475383 0.81 OPRM1 (0.39) HTR2AOPRM1OPRD1OPRK1DRD3
SCHEMBL25475398 0.80 OPRM1 (0.47) HTR2AOPRM1OPRD1OPRK1DRD3
SCHEMBL25475303 0.80 DRD2 (0.39) DRD3
SCHEMBL26413963 0.79 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD3TACR1
SCHEMBL26413968 0.79 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD3TACR1
SCHEMBL3908513 0.79 HTR2A (0.46) HTR2AOPRM1OPRD1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed