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SCHEMBL9874299

SCHEMBL9874299

CNC(=O)CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP2J2 P51589 7/20 0.60
▸ HRH1 P35367 6/20 0.57
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ KCNH2 Q12809 2/20 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
SCHEMBL9872567 0.93 CYP2J2 (0.67) HTTRECQLNPSR1CYP2J2HRH1
SCHEMBL9872364 0.91 CYP2J2 (0.62) HTTRECQLNPSR1CYP2J2HRH1
SCHEMBL9875059 0.89 CYP2J2 (0.58) HTTRECQLNPSR1CYP2J2HRH1
SCHEMBL9873346 0.88 GAA (0.52) HTTRECQLNPSR1CYP2J2CYP2C9
SCHEMBL9873976 0.88 CYP2J2 (0.48) HTTRECQLNPSR1CYP2J2
SCHEMBL9874149 0.86 CYP2J2 (0.61) CYP2J2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL9874399 0.86 ALDH1A1 (0.48) HTTRECQLNPSR1CYP2J2HRH1
SCHEMBL9871858 0.85 CYP2J2 (0.58) CYP2J2HRH1CYP3A4CYP2C9CYP2B6
SCHEMBL9872613 0.85 CYP2J2 (0.61) CYP2J2HRH1
SCHEMBL14573205 0.85 CYP2J2 (0.62) HTTRECQLNPSR1CYP2J2HRH1

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 1 patent. 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