SCHEMBL9874072

SCHEMBL9874072

O=C(CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ATM Q13315 1/20 0.57
LMNA P02545 4/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP2J2 P51589 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9873303 0.94 HTT (0.64) RECQLHTTNPSR1CYP3A4CYP2J2
SCHEMBL9873976 0.84 CYP2J2 (0.48) RECQLHTTNPSR1ATMALDH1A1
SCHEMBL9786843 0.83 BCHE (0.60) RECQLHTTNPSR1CYP2J2
SCHEMBL9873324 0.81 CYP2J2 (0.51) RECQLHTTNPSR1CYP2J2
SCHEMBL11799658 0.81 CYP2J2 (0.69) CYP3A4CYP2J2
SCHEMBL9874149 0.81 CYP2J2 (0.61) LMNACYP3A4CYP2J2
SCHEMBL7328277 0.80 GLA (0.57) RECQLHTTNPSR1CYP2C19ALDH1A1
SCHEMBL9873355 0.80 CYP2J2 (0.48) CYP2J2
SCHEMBL9871858 0.80 CYP2J2 (0.58) LMNACYP3A4CYP2J2
Hydrochloric Acid SCHEMBL11791451 0.80 CYP2J2 (0.67) CYP3A4CYP2J2

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