SCHEMBL9872364

SCHEMBL9872364

CNC(=O)CCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 9/20 0.62
HRH1 P35367 5/20 0.61
KCNH2 Q12809 2/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2B6 P20813 1/20 0.58
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL9872567 0.96 CYP2J2 (0.67) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9871858 0.94 CYP2J2 (0.58) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874299 0.91 HTT (0.60) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874149 0.90 CYP2J2 (0.61) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873919 0.89 CYP2J2 (0.61) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874017 0.88 CYP2J2 (0.51) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874087 0.88 CYP2J2 (0.51) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9874170 0.87 MEN1 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873247 0.86 CYP2J2 (0.63) CYP2J2HRH1KCNH2
SCHEMBL9873058 0.86 CYP2J2 (0.65) CYP2J2HRH1KCNH2CYP3A4CYP2C9

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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed