SCHEMBL9873646

SCHEMBL9873646

CCOC(=O)CCCCCN1CCC(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 6/20 0.61
HRH1 P35367 2/20 0.48
NPY2R P49146 1/20 0.47
PAX8 Q06710 1/20 0.47
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL9873146 1.00 CYP2J2 (0.61) CYP2J2HRH1NPY2RPAX8KCNH2
SCHEMBL9875100 0.90 CYP2J2 (0.59) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873070 0.90 CYP2J2 (0.59) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9871721 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9871856 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873261 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873215 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9875120 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9873618 0.88 CYP2J2 (0.49) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL9872280 0.88 CYP2J2 (0.49) 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 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