SCHEMBL9998993

SCHEMBL9998993

O=C(O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.45
OPRK1 P41145 12/20 0.45
OPRD1 P41143 11/20 0.45
OPRM1 P35372 11/20 0.45
HSD17B10 Q99714 2/20 0.42
NPC1L1 Q9UHC9 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
XIAP P98170 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BDKRB2 P30411 1/20 0.36
LMNA P02545 1/20 0.35
SLC6A9 P48067 1/20 0.34

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
SCHEMBL9998873 0.86 OPRM1 (0.42) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL10248209 0.84 OPRK1 (0.51) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL10248464 0.84 OPRK1 (0.51) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL9998646 0.83 OPRM1 (0.46) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL318391 0.82 OPRL1 (0.48) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL318086 0.82 OPRL1 (0.48) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL318087 0.82 OPRL1 (0.48) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL9998330 0.81 OPRM1 (0.44) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL318533 0.79 OPRM1 (0.46) OPRL1OPRK1OPRD1OPRM1HSD17B10
SCHEMBL318548 0.79 OPRM1 (0.46) OPRL1OPRK1OPRD1OPRM1HSD17B10

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
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 WO disclosed