SCHEMBL9873080

SCHEMBL9873080

COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.67
KCNH2 Q12809 1/20 0.64
SIGMAR1 Q99720 2/20 0.61
CYP2J2 P51589 1/20 0.59
NPY2R P49146 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ACHE P22303 3/20 0.56
BACE1 P56817 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
LMNA P02545 1/20 0.55

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
Oxalic Acid SCHEMBL10461604 0.94 HRH1 (0.60) HRH1KCNH2SIGMAR1CYP2J2NPY2R
SCHEMBL8792635 0.89 HRH1 (0.58) HRH1KCNH2SIGMAR1CYP2J2NPY2R
SCHEMBL9504518 0.86 SIGMAR1 (0.64) HRH1KCNH2SIGMAR1CYP2J2NPY2R
SCHEMBL6362147 0.86 KCNH2 (0.83) HRH1KCNH2ACHECHRM3
Hydrochloric Acid SCHEMBL9787492 0.85 SIGMAR1 (0.62) HRH1KCNH2SIGMAR1CYP2J2NPY2R
SCHEMBL7472985 0.85 LMNA (0.56) HRH1KCNH2CYP2J2NPY2RACHE
SCHEMBL9873505 0.85 HRH1 (0.90) HRH1KCNH2CYP2J2ACHEBACE1
SCHEMBL7477007 0.85 KCNH2 (0.62) HRH1KCNH2NPY2RACHEBACE1
Hydrochloric Acid SCHEMBL7473216 0.84 KCNH2 (0.60) HRH1KCNH2NPY2RACHEBACE1
SCHEMBL7442047 0.83 KCNH2 (0.69) HRH1KCNH2SIGMAR1ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed
US-4886794-A ANTIHISTAMINES, ANTIALLERGENS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-12-12 US disclosed
EP-0291244-A1 Cyclic carbamate derivatives A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-11-17 EP disclosed