SCHEMBL10647450

SCHEMBL10647450

O=CN1C(C(=O)N2CCN(CCCc3ccccc3)CC2)CSC1c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ SIGMAR1 Q99720 5/20 0.45
▸ FAAH O00519 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL9819818 0.81 PTAFR (0.58) PTAFRALDH1A1KDM4EALOX15SIGMAR1
SCHEMBL9819909 0.78 PTAFR (0.42) PTAFRALDH1A1KDM4E
SCHEMBL9819753 0.78 PTAFR (1.00) PTAFRALDH1A1KDM4EALOX15
Hydrochloric Acid SCHEMBL9819996 0.77 PTAFR (0.98) PTAFRALDH1A1KDM4EALOX15
SCHEMBL9740818 0.77 ALDH1A1 (0.52) ALDH1A1KDM4E
SCHEMBL10425283 0.77 ALDH1A1 (0.52) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9819839 0.75 PTAFR (0.93) PTAFRALDH1A1KDM4EALOX15
SCHEMBL9744339 0.73 PTAFR (0.91) PTAFRALDH1A1KDM4EALOX15
SCHEMBL9819800 0.72 PTAFR (0.69) PTAFRALDH1A1KDM4EALOX15SIGMAR1
SCHEMBL9853914 0.71 PTAFR (0.53) PTAFRALDH1A1KDM4EALOX15FAAH

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
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 — — EP disclosed
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