SCHEMBL21512759

SCHEMBL21512759

COC(=O)C1CC(O)(c2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 4/20 0.42
OPRL1 P41146 4/20 0.42
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL29970107 1.00 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL21513708 0.84 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL29969746 0.84 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL31609053 0.81 OPRM1 (0.46) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL21513680 0.77 OPRM1 (0.41) OPRM1OPRL1HTR1ANPC1RAB9A
SCHEMBL29969932 0.77 OPRM1 (0.41) OPRM1OPRL1HTR1ANPC1RAB9A
SCHEMBL16993537 0.76 HTT (0.49) OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL9631982 0.75 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRL1HSD17B10
SCHEMBL21512760 0.74 LATS1 (0.38) KDM4EALDH1A1GAAKMT2A
SCHEMBL23216725 0.73 SMN1; SMN2 (0.44) HSD17B10KDM4EALDH1A1MEN1KMT2A

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
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed