SCHEMBL6648602

SCHEMBL6648602

N#CCCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 1/20 0.35
F2 P00734 1/20 0.32
LTB4R Q15722 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6368536 0.97 SIGMAR1 (0.34) SIGMAR1HTR2CF2LTB4R
SCHEMBL6650636 0.86 RIPK3 (0.34)
SCHEMBL6648116 0.83 KDM4E (0.37) KDM4EMAPT
SCHEMBL9868832 0.81 SIGMAR1 (0.39) SIGMAR1HTR2CF2
Hydrochloric Acid SCHEMBL6586236 0.78 HTR2C (0.41) SIGMAR1HTR2CF2
SCHEMBL6648243 0.77 SIGMAR1 (0.36) SIGMAR1HTR2CF2
SCHEMBL9532276 0.76 DRD2 (0.49) MAPT
SCHEMBL9529877 0.76 DRD2 (0.49) SIGMAR1HTR2C
SCHEMBL9528731 0.76 DRD2 (0.52)
SCHEMBL6648237 0.75 LMNA (0.41) SIGMAR1HTR2CF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469854-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-27 EP disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 WO disclosed
EP-0779284-B1 Novel 2-naphthamide derivatives and their use in therapy as D3 receptor agonists INST NAT SANTE RECH MED (FR) 2002-07-10 EP disclosed
US-5985895-A 2-naphthamide derivatives and their therapeutic applications INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE-INSERM (FR) 1999-11-16 US disclosed
US-5872119-A 2-Naphthamide derivatives and their therapeutic applications Institut National De La Sante et De La Recherche Medicale--INSERM (FR) 1999-02-16 US disclosed
EP-0779284-A1 Novel 2-naphthamide derivatives and their use in therapy as D3 receptor agonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-06-18 EP disclosed