SCHEMBL9458366

SCHEMBL9458366

CN(Cc1ccccc1)C(=O)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
TSHR P16473 1/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
HTT P42858 1/20 0.57
LMNA P02545 2/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ROCK2 O75116 1/20 0.52
PLOD2 O00469 1/20 0.51
RIPK1 Q13546 1/20 0.51
NAMPT P43490 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 1/20 0.50
APP P05067 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
SCHEMBL27781493 0.91 LMNA (0.63) GAATSHRKMT2AMEN1LMNA
SCHEMBL9104852 0.84 GAA (0.71) GAATSHRKMT2AMEN1HTT
SCHEMBL10397498 0.84 PDK1 (0.59) GAATSHRKMT2AMEN1HTT
SCHEMBL1003665 0.84 KMT2A (0.83) GAATSHRKMT2AMEN1HDAC1
SCHEMBL11187328 0.83 KMT2A (0.66) KMT2AMEN1HDAC1HDAC6MAPT
SCHEMBL9763463 0.82 HTT (0.56) GAATSHRHTTLMNAHDAC1
SCHEMBL2797137 0.81 HTT (0.56) GAATSHRHTTPLOD2NPC1
SCHEMBL30452096 0.81 GAA (0.63) GAATSHRKMT2AMEN1HTT
SCHEMBL30801380 0.81 GAA (0.52) GAATSHRKMT2AMEN1HTT
SCHEMBL5890987 0.81 LMNA (0.69) GAATSHRKMT2ALMNASMN1; SMN2

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-1993012087-A1 BIS(CARBAMOYLPIPERIDYL)ALKYLENES AS PLATELET AGGREGATION INHIBITORY AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-24 WO disclosed
US-5219867-A Platelet aggregation inhibitory agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-15 US disclosed