SCHEMBL8699715

SCHEMBL8699715

O=C(NCCCCNC(=O)C1CCCCN1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TGM2 P21980 1/20 0.51
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PRCP P42785 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CPB1 P15086 1/20 0.46
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL11262139 0.85 HTR2C (0.50) HTR2CHTR2BHTTMEN1KMT2A
SCHEMBL11337359 0.84 HTR2C (0.55) HTR2CHTR2BMEN1KMT2AALDH1A1
SCHEMBL9824790 0.84 EPHX1 (0.56) HTR2CHTR2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6653324 0.84 HTR2C (0.55) HTR2CHTR2BMEN1KMT2AALDH1A1
SCHEMBL23532695 0.83 MEN1 (0.59) HTR2CHTR2BMEN1KMT2APRCP
SCHEMBL24322897 0.83 MEN1 (0.59) HTR2CHTR2BMEN1KMT2APRCP
SCHEMBL22127970 0.82 FOLH1 (0.56) HTR2CHTR2BHTTCPB1
SCHEMBL22127969 0.82 FOLH1 (0.56) HTR2CHTR2BHTTCPB1
SCHEMBL23039366 0.82 CA1 (0.55) HTR2CHTR2BDPP4DPP8DPP9
SCHEMBL23039364 0.82 CA1 (0.55) HTR2CHTR2BDPP4DPP8DPP9

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
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed