SCHEMBL7488548

SCHEMBL7488548

CC(=O)N1CCCC1CCc1cc2ccc(C#N)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.42
▸ SLC6A4 P31645 2/20 0.40
▸ HRH3 Q9Y5N1 6/20 0.40
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM2B Q8NHM5 2/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ FAP Q12884 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36

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
SCHEMBL7488534 1.00 RORC (0.42) RORCSLC6A4HRH3MTNR1AMTNR1B
SCHEMBL7493324 0.93 RORC (0.39) RORCSLC6A4HRH3MTNR1AMTNR1B
SCHEMBL7493336 0.93 RORC (0.39) RORCSLC6A4HRH3MTNR1AMTNR1B
SCHEMBL27535674 0.91 MTNR1A (0.38) RORCSLC6A4HRH3MTNR1AMTNR1B
SCHEMBL7536225 0.88 RORC (0.39) RORCSLC6A4HRH3HCRTR1HCRTR2
SCHEMBL7536239 0.88 RORC (0.39) RORCSLC6A4HRH3HCRTR1HCRTR2
SCHEMBL7485095 0.86 SLC6A4 (0.39) RORCSLC6A4HRH3CHRM3DPP4
SCHEMBL7490826 0.86 DPP4 (0.45) RORCSLC6A4KDM4EALDH1A1TSHR
SCHEMBL7490820 0.86 DPP4 (0.45) RORCSLC6A4KDM4EALDH1A1TSHR
SCHEMBL7485089 0.86 SLC6A4 (0.39) RORCSLC6A4HRH3CHRM3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079396-C Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RES LAB (KR) 2002-02-20 — — CN disclosed
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
CN-1219932-A Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RESEARCH LAB (KR) 1999-06-16 — — CN 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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