SCHEMBL7536239

SCHEMBL7536239

Cn1c(CCC2CCCN2C(=O)CC2CCCC2)cc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.39
▸ SLC6A4 P31645 3/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM2B Q8NHM5 2/20 0.36
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL7536225 1.00 RORC (0.39) RORCSLC6A4HRH3HCRTR1HCRTR2
SCHEMBL7485841 0.90 SLC6A4 (0.38) SLC6A4HRH3HCRTR1HCRTR2ERAP1
SCHEMBL7452435 0.90 SLC6A4 (0.38) SLC6A4HRH3HCRTR1HCRTR2ERAP1
SCHEMBL7486268 0.89 SCN7A (0.38) SLC6A4HRH3HCRTR1HCRTR2ERAP1
SCHEMBL7452780 0.89 SCN7A (0.38) SLC6A4HRH3HCRTR1HCRTR2ERAP1
SCHEMBL7488534 0.88 RORC (0.42) RORCSLC6A4HRH3HCRTR1HCRTR2
SCHEMBL7488548 0.88 RORC (0.42) RORCSLC6A4HRH3HCRTR1HCRTR2
SCHEMBL7490826 0.85 DPP4 (0.45) RORCSLC6A4TSHRKDM4EALDH1A1
SCHEMBL7485095 0.85 SLC6A4 (0.39) RORCSLC6A4HRH3KMT2A
SCHEMBL7490820 0.85 DPP4 (0.45) RORCSLC6A4TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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