SCHEMBL9397015

SCHEMBL9397015

CCOC(C)(c1nc2ccccc2[nH]1)C1CCN(CCc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.51
KCNH2 Q12809 3/20 0.47
CHRNA7 P36544 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL9397029 0.84 HTR2B (0.45) HRH1SIGMAR1HDAC6HTR2B
SCHEMBL992242 0.80 HTR2B (0.58) HRH1KCNH2CHRNA7SIGMAR1HTR2B
SCHEMBL28562183 0.71 HRH1 (0.49) HRH1KCNH2CHRNA7HTR2B
SCHEMBL993093 0.70 HTR2B (0.55) HRH1KCNH2CHRNA7HTR2B
SCHEMBL8296045 0.70 HTR2B (0.73) HTR2B
SCHEMBL14916479 0.70 KCNH2 (0.51) HRH1KCNH2CHRNA7HTR2B
SCHEMBL28050009 0.69 HTR2B (0.49) HRH1KCNH2CHRNA7HTR2B
SCHEMBL17023774 0.68 HRH1 (0.79) HRH1KCNH2HTR2B
SCHEMBL21815504 0.67 HTR2B (0.47) HRH1KCNH2CHRNA7HTR2B
Alinastine SCHEMBL142547 0.67 HRH1 (1.00) HRH1KCNH2

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
US-5322850-A Antiallergic piperidine derivatives of benzimidazole FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1994-06-21 US claimed