SCHEMBL6093716

SCHEMBL6093716

CN(C)C(CCNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.62
CNR2 P34972 1/20 0.48
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL6091221 0.90 UTS2R (0.61) UTS2RKMT2AOPRL1MEN1
SCHEMBL6092302 0.84 KMT2A (0.64) UTS2RCNR2CNR1KMT2AATM
SCHEMBL5451954 0.77 UTS2R (1.00) UTS2RCNR2
Hydrochloric Acid SCHEMBL5431996 0.76 UTS2R (0.98) UTS2R
SCHEMBL6093300 0.73 ALDH1A1 (0.69) UTS2RCNR2CNR1KMT2AATM
SCHEMBL4731502 0.71 UTS2R (0.55) UTS2RKMT2AMEN1
SCHEMBL6094333 0.71 UTS2R (0.61) UTS2RCNR2CNR1
SCHEMBL3660216 0.70 DRD2 (0.46) UTS2RCNR1KMT2AMEN1
SCHEMBL30791530 0.70 HPGD (0.55) UTS2RKMT2AMEN1
SCHEMBL27635302 0.69 KMT2A (0.57) KMT2AATMMEN1

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-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO claimed
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO disclosed