SCHEMBL7494540

SCHEMBL7494540

Cn1c(CC[C@@H]2CCCN2C(=O)O)cc2cc(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.43
▸ RORC P51449 1/20 0.42
▸ SLC6A4 P31645 3/20 0.41
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ KDM2B Q8NHM5 4/20 0.37
▸ DRD2 P14416 1/20 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
SCHEMBL7490886 0.93 HRH3 (0.39) HRH3RORCSLC6A4HCRTR1HCRTR2
SCHEMBL7485138 0.88 HRH3 (0.41) HRH3SLC6A4HCRTR1HCRTR2KDM2B
SCHEMBL7487691 0.87 DPP4 (0.43) HRH3RORCSLC6A4
SCHEMBL7487699 0.87 DPP4 (0.43) HRH3RORCSLC6A4
SCHEMBL7488534 0.84 RORC (0.42) HRH3RORCSLC6A4HCRTR1HCRTR2
SCHEMBL7488548 0.84 RORC (0.42) HRH3RORCSLC6A4HCRTR1HCRTR2
SCHEMBL7487889 0.82 HRH3 (0.38) HRH3SLC6A4HCRTR1HCRTR2KDM2B
SCHEMBL7485095 0.81 SLC6A4 (0.39) HRH3RORCSLC6A4DRD2
SCHEMBL7485089 0.81 SLC6A4 (0.39) HRH3RORCSLC6A4DRD2
SCHEMBL7536239 0.81 RORC (0.39) HRH3RORCSLC6A4HCRTR1HCRTR2

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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