SCHEMBL11265290

SCHEMBL11265290

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N4CCCCC4CCO)sc3cc2s1)N1CCCCC1CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ TERT O14746 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPY4R P50391 2/20 0.33
▸ NPY5R Q15761 1/20 0.32

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
SCHEMBL11268000 0.91 OPRM1 (0.37) OPRM1OPRD1OPRK1TERTHTR2C
SCHEMBL11256464 0.89 POLB (0.40) OPRM1OPRD1OPRK1TERTHTR2C
SCHEMBL11272890 0.86 OPRM1 (0.38) OPRM1OPRD1OPRK1HTR2CALDH1A1
SCHEMBL11266562 0.84 DRD2 (0.39) OPRM1OPRD1OPRK1ALDH1A1POLB
SCHEMBL11258040 0.83 OPRM1 (0.37) OPRM1OPRD1OPRK1HTR2CALDH1A1
SCHEMBL11269476 0.78 KDM4E (0.40) OPRM1OPRD1OPRK1ALDH1A1POLB
SCHEMBL11265320 0.76 HTR2C (0.41) OPRM1OPRD1OPRK1HTR2CALDH1A1
SCHEMBL11262480 0.75 HTR2C (0.40) OPRM1OPRD1OPRK1HTR2CALDH1A1
Hydrochloric Acid SCHEMBL11254022 0.74 RAD52 (0.41) OPRM1OPRD1OPRK1HTR2CALDH1A1
SCHEMBL11256981 0.72 SMN1; SMN2 (0.41) OPRM1OPRD1OPRK1HTR2CALDH1A1

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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