SCHEMBL8549523

SCHEMBL8549523

COC(=O)CN1CCN(C(=O)c2sc(CCC3CCNCC3)nc2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SIGLEC9 Q9Y336 1/20 0.34
GAA P10253 2/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
STAT3 P40763 1/20 0.32
TPSAB1 Q15661 3/20 0.31
TPSD1 Q9BZJ3 3/20 0.31
TPSG1 Q9NRR2 3/20 0.31
TNKS2 Q9H2K2 1/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL8553722 0.89 HTR2C (0.37) HTR2CALDH1A1HPGDSIGLEC9GAA
SCHEMBL8549687 0.80 HTT (0.47) HTR2C
SCHEMBL8554049 0.71 LMNA (0.42) ALDH1A1GAAITGB3ITGA2B
SCHEMBL8554046 0.71 LMNA (0.42) ALDH1A1GAAITGB3ITGA2B
Hydrochloric Acid SCHEMBL8549999 0.70 LMNA (0.41) ALDH1A1GAAITGB3ITGA2B
Hydrochloric Acid SCHEMBL8552450 0.69 FLT3 (0.37) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL31465603 0.69 CACNA2D1 (0.44)
SCHEMBL8625336 0.68 ITGB3 (0.33) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8551751 0.67 LMNA (0.43) ALDH1A1GAATSHRITGB3ITGA2B
Hydrochloric Acid SCHEMBL8627559 0.67 LMNA (0.43) ALDH1A1GAATSHRITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed