SCHEMBL14367448

SCHEMBL14367448

CNC(=N)c1ccc(OCCCN2CCN(CCCOc3ccc(C(=N)NC)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
HRH2 P25021 8/20 0.53
HRH1 P35367 8/20 0.53
KDM4E B2RXH2 1/20 0.51
HRH3 Q9Y5N1 7/20 0.50
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49

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
Hydrochloric Acid SCHEMBL1714830 0.99 DRD2 (0.53) DRD2HRH2HRH1KDM4EHRH3
SCHEMBL14367487 0.83 DRD2 (0.56) DRD2HRH2HRH1KDM4EHRH3
Acetic Acid SCHEMBL5624244 0.81 KDM4E (0.57) DRD2HRH2HRH1KDM4EHRH3
SCHEMBL14367305 0.81 PLK1 (0.56) RAB9A
SCHEMBL1714559 0.80 PRSS1 (0.69) DRD2HRH3CHRM2HTR2AKCNH2
SCHEMBL18296656 0.80 PRSS1 (0.41) HRH3CHRM2HTR2AKCNH2
SCHEMBL14367450 0.80 HRH3 (0.47) DRD2HRH2HRH1KDM4EHRH3
Hydrochloric Acid SCHEMBL1714997 0.79 PRSS1 (0.70) DRD2HRH3CHRM2HTR2AKCNH2
Hydrochloric Acid SCHEMBL1715417 0.79 HRH3 (0.46) DRD2HRH2HRH1KDM4EHRH3
SCHEMBL12461388 0.78 PRSS1 (0.51) HRH3CHRM2HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed