SCHEMBL3406402

SCHEMBL3406402

CCc1ccc([N+]2([O-])CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.33
CYP2A6 P11509 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10998296 0.81 CYP2A6 (0.35) CA2TP53TAAR1NPC1RAB9A
SCHEMBL1946653 0.77 KMT2A (0.38) NPC1SMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL76934 0.72 MEN1 (0.36) CA2TP53NPC1RAB9AKMT2A
SCHEMBL13719990 0.72
SCHEMBL3984911 0.72 KMT2A (0.36) CA2NPC1RAB9AKMT2AALDH1A1
SCHEMBL874303 0.72
SCHEMBL76560 0.72 LMNA (0.32) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7459719 0.70 PABPC1 (0.32) KMT2AALDH1A1OPRD1
SCHEMBL79246 0.70 MEN1 (0.38) CA2TP53NPC1RAB9AKMT2A
SCHEMBL5871381 0.69

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-2252149-B1 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL DEFENCE RES & DEV ORG (IN) 2013-11-20 EP disclosed
EP-2252149-A2 A METHOD FOR THE PREPARATION OF FENTANYL Director General, Defence Research & Development Organisation (IN) 2010-11-24 EP disclosed
WO-2009116084-A2 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION, MINISTRY OF DEFENCE (IN) 2009-09-24 WO disclosed
EP-1812391-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES Boehringer Ingelheim Chemicals, Inc. (US) 2007-08-01 EP disclosed
WO-2006055321-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2006-05-26 WO disclosed