SCHEMBL7490906

SCHEMBL7490906

CCn1c(CCC2CCCN2C)cc2ccc(C#N)cc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.52
▸ HRH3 Q9Y5N1 9/20 0.44
▸ CHRM3 P20309 1/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ KDM1A O60341 2/20 0.37

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
SCHEMBL7491381 0.86 HRH3 (0.40) SLC6A4HRH3
SCHEMBL7451480 0.83 SLC6A4 (0.52) SLC6A4HRH3
SCHEMBL7490175 0.83 SLC6A4 (0.52) SLC6A4HRH3
SCHEMBL7491392 0.83 SLC6A4 (0.42) SLC6A4HRH3KCNH2
SCHEMBL7490459 0.82 HRH3 (0.37) SLC6A4HRH3KCNH2
SCHEMBL7490466 0.82 HRH3 (0.37) SLC6A4HRH3KCNH2
SCHEMBL7452435 0.81 SLC6A4 (0.38) SLC6A4HRH3KCNH2KDM1A
SCHEMBL7485841 0.81 SLC6A4 (0.38) SLC6A4HRH3KCNH2KDM1A
SCHEMBL7488852 0.81 CCR9 (0.39) SLC6A4HRH3KCNH2
SCHEMBL7953672 0.81 HRH3 (0.36) SLC6A4HRH3CHRM3KCNH2

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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