SCHEMBL7489629

SCHEMBL7489629

CCn1c(CCC2CCCN2C(=O)Cc2ccccc2C(=O)O)cc2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.38
▸ CCR9 P51686 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACSS2 Q9NR19 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ ALB P02768 1/20 0.32

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
SCHEMBL7489622 1.00 SLC6A4 (0.38) SLC6A4CCR9HRH3DPP4HCRTR1
SCHEMBL7496052 0.89 MEN1 (0.39) SLC6A4CCR9HRH3DPP4ACSS2
SCHEMBL7447108 0.89 MEN1 (0.39) SLC6A4CCR9HRH3DPP4ACSS2
SCHEMBL7487759 0.87 RAB9A (0.36) SLC6A4DPP4MEN1RAB9AKMT2A
SCHEMBL7441622 0.87 RAB9A (0.36) SLC6A4DPP4MEN1RAB9AKMT2A
SCHEMBL7488683 0.85 F2 (0.37) MEN1NPC1RAB9AKMT2AUTS2R
SCHEMBL7490466 0.84 HRH3 (0.37) SLC6A4CCR9HRH3DPP4HCRTR1
SCHEMBL7490459 0.84 HRH3 (0.37) SLC6A4CCR9HRH3DPP4HCRTR1
SCHEMBL7485841 0.83 SLC6A4 (0.38) SLC6A4HRH3HCRTR1HCRTR2SCN7A
SCHEMBL7452435 0.83 SLC6A4 (0.38) SLC6A4HRH3HCRTR1HCRTR2SCN7A

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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