SCHEMBL7953676

SCHEMBL7953676

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 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
▸ DPP7 Q9UHL4 2/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL7953675 1.00 HRH3 (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7953672 1.00 HRH3 (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7491392 0.86 SLC6A4 (0.42) HRH3SLC6A4SCN7AKCNH2HCRTR1
SCHEMBL7491799 0.85 DPP4 (0.41) HRH3DPP4FAPDPP8DPP9
SCHEMBL7489797 0.85 DPP4 (0.41) HRH3DPP4FAPDPP8DPP9
SCHEMBL7490466 0.85 HRH3 (0.37) HRH3DPP4SLC6A4SCN7AKCNH2
SCHEMBL7490459 0.85 HRH3 (0.37) HRH3DPP4SLC6A4SCN7AKCNH2
SCHEMBL7492513 0.85 CHRM3 (0.37) SLC6A4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL7492498 0.85 CHRM3 (0.37) SLC6A4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL7492507 0.85 CHRM3 (0.37) SLC6A4HCRTR1HCRTR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
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