SCHEMBL7484588

SCHEMBL7484588

N#Cc1ccc2sc(CC[C@@H]3CCCN3C(=O)O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.46
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KDM2B Q8NHM5 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SCD5 Q86SK9 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 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
SCHEMBL7490311 0.89 HRH3 (0.42) HRH3HCRTR1HCRTR2SLC6A4SCD5
SCHEMBL7490301 0.89 HRH3 (0.42) HRH3HCRTR1HCRTR2SLC6A4SCD5
SCHEMBL7485078 0.79 HRH3 (0.58) HRH3
SCHEMBL7494540 0.76 HRH3 (0.43) HRH3HCRTR1HCRTR2KDM2BSLC6A4
SCHEMBL7445185 0.75 SLC6A4 (0.39) HRH3HCRTR1HCRTR2SLC6A4DPP4
SCHEMBL7488107 0.74 DPP4 (0.39) HRH3KDM2BSCD5SCDDPP4
SCHEMBL7441337 0.74 DRD2 (0.46) HRH3HCRTR1HCRTR2KDM2BSLC6A4
SCHEMBL7494232 0.74 HRH3 (0.46) HRH3HCRTR1HCRTR2KDM2B
SCHEMBL7485138 0.74 HRH3 (0.41) HRH3HCRTR1HCRTR2KDM2BSLC6A4
SCHEMBL7485307 0.73 HRH3 (0.43) HRH3HCRTR1HCRTR2KDM2BDPP4

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
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
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