SCHEMBL7488283

SCHEMBL7488283

CCOC(=O)CN1CCCC1C(=O)N1CCCC1CCc1ccc2ccc(C#N)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.43
▸ USP14 P54578 1/20 0.36
▸ MMEL1 Q495T6 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL7488272 1.00 HRH3 (0.43) HRH3USP14MMEL1KCNH2SLC6A4
SCHEMBL7447886 0.89 HRH3 (0.44) HRH3KCNH2TACR1
SCHEMBL7447871 0.89 HRH3 (0.44) HRH3KCNH2TACR1
SCHEMBL7441827 0.88 HRH3 (0.44) HRH3KCNH2SLC6A4TACR1DPP4
SCHEMBL7444342 0.85 HRH3 (0.50) HRH3KCNH2
SCHEMBL7444329 0.85 HRH3 (0.50) HRH3KCNH2
SCHEMBL7489205 0.85 HRH3 (0.42) HRH3KCNH2SLC6A4
SCHEMBL7489197 0.85 HRH3 (0.42) HRH3KCNH2SLC6A4
SCHEMBL7491800 0.85 F10 (0.41) KDM4E
SCHEMBL7485506 0.84 HRH3 (0.35) HRH3USP14MMEL1KCNH2SLC6A4

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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