SCHEMBL26413554

SCHEMBL26413554

O=C(OC1(c2ccccc2)CCNCC1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.62
HDAC1 Q13547 1/20 0.45
AKR1C1 Q04828 1/20 0.42
TACR1 P25103 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL24944914 0.97 OPRM1 (0.58) OPRM1HDAC1AKR1C1OPRD1OPRK1
SCHEMBL24943761 0.94 OPRM1 (0.56) OPRM1AKR1C1
SCHEMBL24944070 0.93 OPRM1 (0.55) OPRM1AKR1C1
SCHEMBL26413737 0.89 OPRM1 (0.51) OPRM1
SCHEMBL24943748 0.87 OPRM1 (0.49) OPRM1AKR1C1
SCHEMBL26413856 0.86 OPRM1 (0.54) OPRM1AKR1C1
SCHEMBL26413345 0.84 OPRM1 (0.51) OPRM1HDAC1TACR1OPRD1OPRK1
SCHEMBL24944640 0.84 OPRM1 (0.48) OPRM1HDAC1AKR1C1TACR1OPRD1
SCHEMBL373568 0.83 OPRM1 (0.50) OPRM1HDAC1AKR1C1TACR1OPRD1
SCHEMBL378799 0.81 OPRM1 (0.70) OPRM1HDAC1TACR1OPRD1OPRK1

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
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed