SCHEMBL7861655

SCHEMBL7861655

CCOCCn1c(OC2CCNC(Cc3ccccc3)C2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.48
KDM4E B2RXH2 1/20 0.47
KCNH2 Q12809 3/20 0.47
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 1/20 0.43

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
SCHEMBL7861658 1.00 HRH1 (0.48) HRH1KDM4EKCNH2MEN1TSHR
SCHEMBL7854950 0.82 KDM4E (0.45) HRH1KDM4EKCNH2MEN1TSHR
SCHEMBL7854951 0.82 KDM4E (0.45) HRH1KDM4EKCNH2MEN1TSHR
Oxalic Acid SCHEMBL7864914 0.79 HRH1 (0.45) HRH1KDM4EKCNH2
Oxalic Acid SCHEMBL7864912 0.79 HRH1 (0.45) HRH1KDM4EKCNH2
SCHEMBL7865024 0.75 HRH1 (0.44) HRH1KDM4EKCNH2CHRM1
SCHEMBL7865017 0.75 HRH1 (0.44) HRH1KDM4EKCNH2CHRM1
SCHEMBL7861738 0.72 KCNH2 (0.43) HRH1KDM4EKCNH2CHRM1
SCHEMBL7861741 0.72 KCNH2 (0.43) HRH1KDM4EKCNH2CHRM1
SCHEMBL9535375 0.71 HRH1 (0.55) HRH1KDM4EKCNH2TSHRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed