SCHEMBL14934441

SCHEMBL14934441

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(Cc3ccccc3)C2)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.63
▸ PRKAB2 O43741 2/20 0.61
▸ PRKAG1 P54619 2/20 0.61
▸ PRKAA2 P54646 2/20 0.61
▸ PRKAA1 Q13131 2/20 0.61
▸ PRKAG3 Q9UGI9 2/20 0.61
▸ PRKAG2 Q9UGJ0 2/20 0.61
▸ PRKAB1 Q9Y478 2/20 0.61
▸ EPHX2 P34913 2/20 0.59
▸ USP2 O75604 7/20 0.59
▸ CYP3A4 P08684 7/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ CYP2D6 P10635 4/20 0.59
▸ TSHR P16473 4/20 0.59
▸ CYP2C9 P11712 1/20 0.58
▸ HIF1A Q16665 1/20 0.57
▸ EPAS1 Q99814 1/20 0.57
▸ CYP2C19 P33261 1/20 0.56
▸ MGLL Q99685 1/20 0.54

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
SCHEMBL14934576 0.95 FAAH (0.67) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14934449 0.87 EPHX2 (0.65) EPHX2
SCHEMBL3018043 0.84 FAAH (0.65) FAAHUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL3021060 0.83 FAAH (0.59) FAAHCYP3A4CYP1A2CYP2D6TSHR
SCHEMBL14934419 0.82 EPHX2 (0.63) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15171020 0.82 EPHX2 (0.73) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25153766 0.79 EPHX2 (0.62) EPHX2USP2CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL31717484 0.79 USP2 (0.54) FAAHUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL896482 0.79 FAAH (0.62) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14934392 0.78 USP2 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
WO-2013065712-A1 DIAZASPIROUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 (JP) 2013-05-10 — — WO disclosed
Send feedback