SCHEMBL9873505

SCHEMBL9873505

Cc1ccc(C(O)(c2ccc(C)cc2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.90
KCNH2 Q12809 2/20 0.69
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
CYP2J2 P51589 1/20 0.57
ACHE P22303 3/20 0.54
BACE1 P56817 2/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 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
SCHEMBL6362147 0.90 KCNH2 (0.83) HRH1KCNH2ACHEKDM4EALDH1A1
SCHEMBL7442047 0.86 KCNH2 (0.69) HRH1KCNH2ACHEBACE1KDM4E
SCHEMBL9873080 0.85 HRH1 (0.67) HRH1KCNH2LMNACYP2J2ACHE
SCHEMBL9787488 0.85 HRH1 (0.78) HRH1KCNH2LMNACYP2J2GAA
Hydrochloric Acid SCHEMBL8200558 0.85 KCNH2 (0.67) HRH1KCNH2POLBACHEBACE1
Hydrochloric Acid SCHEMBL9787478 0.84 HRH1 (0.73) HRH1KCNH2CYP2J2ACHEBACE1
Hydrochloric Acid SCHEMBL9787500 0.84 HRH1 (0.76) HRH1KCNH2LMNACYP2J2GAA
SCHEMBL17031600 0.81 HRH1 (1.00) HRH1KCNH2CYP2J2
SCHEMBL7477007 0.81 KCNH2 (0.62) HRH1KCNH2ACHEBACE1ALDH1A1
SCHEMBL3240024 0.81 KCNH2 (0.78) HRH1KCNH2CYP2J2KDM4EALDH1A1

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 4 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-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 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