SCHEMBL6430952

SCHEMBL6430952

CCCN(C)CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP51A1 Q16850 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRNA7 P36544 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
SCHEMBL11922686 0.89 SIGMAR1 (0.49) SIGMAR1KDM4ESMN1; SMN2LOXL2CYP1A2
SCHEMBL4001727 0.86 KDM4E (0.47) KDM4ESMN1; SMN2LOXL2CYP1A2CYP3A4
SCHEMBL15308555 0.82 KDM4E (0.51) SIGMAR1KDM4ESMN1; SMN2LOXL2CYP1A2
SCHEMBL8828685 0.79 HRH1 (0.56) SIGMAR1KDM4ESMN1; SMN2LOXL2CYP1A2
SCHEMBL10926250 0.79 SIGMAR1 (0.47) SIGMAR1KDM4ESMN1; SMN2LOXL2CYP1A2
SCHEMBL11922700 0.79 SIGMAR1 (0.72) SIGMAR1
SCHEMBL210990 0.79 TAAR1 (0.60) KDM4ESMN1; SMN2LOXL2CYP1A2CYP3A4
Trimethylammonium SCHEMBL9242104 0.79 ALDH1A1 (0.50) SMN1; SMN2LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL13123538 0.78 KDM4E (0.42) SIGMAR1KDM4ESMN1; SMN2LOXL2CYP1A2
SCHEMBL18137939 0.78 KCNH2 (0.61) SIGMAR1CYP1A2CYP3A4CYP2D6HRH3

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-1615925-B1 IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS IPSEN PHARMA (FR) 2009-05-27 EP disclosed
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO disclosed