SCHEMBL8673285

SCHEMBL8673285

COc1cccc2c1CN(NC(=O)CCl)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.53
MTNR1B P49286 5/20 0.53
ABHD6 Q9BV23 2/20 0.44
ACACB O00763 2/20 0.44
LIPE Q05469 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TIPARP Q7Z3E1 2/20 0.42
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8674285 0.81 NISCH (0.45) ACACBCYP1A2TRAP1AKR1C3ALDH1A1
SCHEMBL8675155 0.80 DPP8 (0.41) MTNR1AMTNR1BTIPARPHSP90B1TRAP1
SCHEMBL8673747 0.78 NAMPT (0.45) MTNR1AMTNR1BLIPEHDAC1ALDH1A1
SCHEMBL8677167 0.76 ACACB (0.43) ACACB
SCHEMBL5458119 0.71 MTNR1A (0.50) MTNR1AMTNR1BABHD6HDAC1HDAC6
SCHEMBL16638014 0.70 ABHD6 (0.61) MTNR1AMTNR1BABHD6TIPARPHSP90B1
SCHEMBL14067231 0.70 ABHD6 (0.61) MTNR1AMTNR1BABHD6ACACBTIPARP
SCHEMBL55491 0.69 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1361406 0.68 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1361403 0.68 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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-5726197-A ADRENORECEPTORS AND ADMINISTERING SYNTEX (U.S.A.) INC. (US) 1998-03-10 US disclosed