SCHEMBL9504518

SCHEMBL9504518

COc1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
CHRM2 P08172 2/20 0.63
CHRM1 P11229 2/20 0.63
CHRM3 P20309 2/20 0.63
HRH1 P35367 1/20 0.62
KCNH2 Q12809 1/20 0.60
NPY2R P49146 2/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
ACHE P22303 1/20 0.54
CYP2J2 P51589 1/20 0.53
POLB P06746 1/20 0.53

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 SCHEMBL9787492 0.99 SIGMAR1 (0.62) SIGMAR1CHRM2CHRM1CHRM3HRH1
SCHEMBL9504605 0.88 HRH1 (0.64) SIGMAR1HRH1
SCHEMBL9873080 0.86 HRH1 (0.67) SIGMAR1CHRM2CHRM3HRH1KCNH2
SCHEMBL6362147 0.83 KCNH2 (0.83) CHRM3HRH1KCNH2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9787478 0.83 HRH1 (0.73) CHRM2CHRM1CHRM3HRH1KCNH2
SCHEMBL17470860 0.82 SIGMAR1 (0.65) SIGMAR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL8316153 0.82 CYP2J2 (0.60) HRH1KCNH2NPY2RCYP2J2
Oxalic Acid SCHEMBL10461604 0.81 HRH1 (0.60) SIGMAR1CHRM2CHRM3HRH1KCNH2
SCHEMBL12013920 0.78 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1MAPTACHE
SCHEMBL28801570 0.78 SIGMAR1 (0.70) SIGMAR1CHRM2CHRM3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3115221-A None JP disclosed
EP-0399547-B1 USE OF 4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDYL-PHENYLALKANE DERIVATIVES FOR THE MANUFACTURE OF AN ANTIHISTAMINIC SCHAPER & BRÜMMER GMBH & CO. KG (DE) 1993-08-11 EP disclosed
US-5077301-A 4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDYLPHENYLALKANE DERIVATIVES AS ANTIHISTAMINES AND METHODS OF TREATMENT OF AN ALLERGIC RESPONSE SCHAPER & BRUEMMER GMBH & CO. KG (DE) 1991-12-31 US disclosed
JP-H03115221-A ANTIHISTAMINE AGENT SCHAPER & BRUEMMER GMBH & CO KG 1991-05-16 JP disclosed
EP-0399547-A2 Use of 4-(hydroxydiphenylmethyl)-1-piperidyl-phenylalkane derivatives for the manufacture of an antihistaminic SCHAPER & BRÜMMER GMBH & CO. KG (DE) 1990-11-28 EP disclosed