SCHEMBL9504605

SCHEMBL9504605

COc1cccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.64
HTR1A P08908 1/20 0.63
SLC6A4 P31645 1/20 0.63
SIGMAR1 Q99720 2/20 0.62
HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL9504518 0.88 SIGMAR1 (0.64) HRH1SIGMAR1
Hydrochloric Acid SCHEMBL9787492 0.87 SIGMAR1 (0.62) HRH1SIGMAR1
SCHEMBL9505914 0.87 HRH1 (0.76) HRH1
SCHEMBL9201118 0.86 HTR1A (0.63) HTR1ASLC6A4SIGMAR1HRH3
SCHEMBL17023775 0.85 HRH1 (0.68) HRH1HTR1ASLC6A4
SCHEMBL17297879 0.83 SIGMAR1 (0.72) HTR1ASLC6A4SIGMAR1HRH3
SCHEMBL8316153 0.82 CYP2J2 (0.60) HRH1
SCHEMBL17297948 0.79 SIGMAR1 (0.78) HTR1ASLC6A4SIGMAR1HRH3
SCHEMBL17031600 0.78 HRH1 (1.00) HRH1
SCHEMBL1333820 0.78 HTR1A (0.71) HTR1ASLC6A4SIGMAR1

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
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