SCHEMBL8313654

SCHEMBL8313654

c1ccc(C(=C2CCNCC2)c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.64
KCNH2 Q12809 5/20 0.64
PTAFR P25105 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 3/20 0.46
OPRM1 P35372 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
OPRK1 P41145 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL6583543 0.88 OPRD1 (0.62) OPRD1KCNH2PTAFRKMT2AMEN1
SCHEMBL12751010 0.83 OPRD1 (0.48) OPRD1KCNH2KMT2ALMNAOPRM1
SCHEMBL2457390 0.80 OPRD1 (0.61) OPRD1KCNH2LMNAOPRM1OPRK1
Hydrochloric Acid SCHEMBL7647391 0.79 OPRD1 (0.59) OPRD1KCNH2LMNAOPRM1OPRK1
Bromide SCHEMBL10598951 0.79 OPRD1 (0.59) OPRD1KCNH2LMNAOPRM1OPRK1
SCHEMBL30567989 0.79 OPRD1 (0.56) OPRD1KCNH2PTAFRKMT2AMEN1
SCHEMBL21381637 0.79 OPRD1 (0.56) OPRD1KCNH2PTAFRKMT2AMEN1
SCHEMBL22491502 0.77 OPRD1 (0.43) OPRD1KCNH2LMNAOPRM1OPRK1
SCHEMBL13272027 0.75 PTAFR (0.64) OPRD1KCNH2PTAFRKMT2AMEN1
2-Picolinic Acid SCHEMBL25335049 0.74 L3MBTL1 (0.77) OPRD1KCNH2KMT2ALMNAL3MBTL1

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