SCHEMBL8317220

SCHEMBL8317220

O=C1CC(=O)N(CCCBr)c2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
AHR P35869 1/20 0.41
PDK2 Q15119 1/20 0.41
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
HTR7 P34969 6/20 0.39
HTR1A P08908 4/20 0.39
HDAC3 O15379 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL24335207 0.85 KDM4E (0.45) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL11839637 0.84 MAPT (0.48) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL8313816 0.82 MAPT (0.43) OPRM1OPRL1OPRD1OPRK1MEN1
Oxindole SCHEMBL9054033 0.80 HTR7 (0.52) AHRPDK2HTR7HTR1ADRD2
SCHEMBL1239067 0.80 KMT2A (0.53) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL13729308 0.78 KMT2A (0.64) MEN1KMT2AMAPTEPHX2DRD2
SCHEMBL11551265 0.74 BRPF1 (0.59) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL9049355 0.73 HTR7 (0.63) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL5389753 0.71 DRD2 (0.62) DRD2DRD3
SCHEMBL4058329 0.70 ALDH1A1 (0.56) MEN1KMT2AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed