SCHEMBL9819909

SCHEMBL9819909

O=CN1C(C(=O)N2CCNCC2CCCc2ccccc2)CSC1c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.42
▸ DPP4 P27487 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35

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
SCHEMBL10647450 0.78 PTAFR (0.64) PTAFRALDH1A1KDM4E
SCHEMBL10425283 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPT
SCHEMBL9740818 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPT
SCHEMBL4010855 0.66 DPP4 (0.49) DPP4CHRNA7
SCHEMBL27314597 0.66 ALDH1A1 (0.45) ALDH1A1KDM4EMAPT
SCHEMBL779822 0.65 CYP3A4 (0.46) DPP4CHRNA7
SCHEMBL9268772 0.65 — —
SCHEMBL38659223 0.65 KDM4E (0.45) ALDH1A1KDM4ECHRNA7
Hydrochloric Acid SCHEMBL780022 0.65 CYP3A4 (0.45) DPP4
SCHEMBL1190776 0.64 CA1 (0.48) DPP4

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-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
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