SCHEMBL7491888

SCHEMBL7491888

CCn1c(CCC2CCN2)cc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ACSS2 Q9NR19 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CCR9 P51686 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL7491878 1.00 SLC6A4 (0.38) SLC6A4HRH3SLC6A2SLC6A3ACSS2
SCHEMBL7489848 0.92 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3ACSS2
SCHEMBL7490721 0.92 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3ACSS2
SCHEMBL7452507 0.91 SLC6A4 (0.49) SLC6A4HRH3SLC6A2SLC6A3DRD2
SCHEMBL7491564 0.91 SLC6A4 (0.49) SLC6A4HRH3SLC6A2SLC6A3DRD2
SCHEMBL7490900 0.85 HRH3 (0.33) SLC6A4HRH3SLC6A2SLC6A3ACSS2
SCHEMBL7491377 0.84 CYP11B2 (0.34) SLC6A4HRH3SLC6A2SLC6A3ACSS2
SCHEMBL7487244 0.83 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3KCNH2
SCHEMBL7487240 0.83 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3KCNH2
SCHEMBL27401589 0.81 PPARG (0.43) HRH3ACSS2CYP11B2CYP11B1CCR9

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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