SCHEMBL9819800

SCHEMBL9819800

O=C(C1COC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SIGMAR1 Q99720 6/20 0.45
▸ FAAH O00519 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ USP2 O75604 1/20 0.42

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
SCHEMBL9819753 0.82 PTAFR (1.00) PTAFRALDH1A1KDM4EALOX15
Hydrochloric Acid SCHEMBL9819996 0.81 PTAFR (0.98) PTAFRALDH1A1KDM4EALOX15
Hydrochloric Acid SCHEMBL9819839 0.79 PTAFR (0.93) PTAFRALDH1A1KDM4EALOX15
SCHEMBL9744339 0.77 PTAFR (0.91) PTAFRALDH1A1KDM4EALOX15
SCHEMBL10647450 0.72 PTAFR (0.64) PTAFRALDH1A1KDM4EALOX15SIGMAR1
SCHEMBL9202842 0.71 PTAFR (0.78) PTAFRALDH1A1KDM4EALOX15
SCHEMBL4797847 0.70 KDM4E (0.56) PTAFRALDH1A1KDM4EALOX15SIGMAR1
SCHEMBL9199023 0.70 PTAFR (0.77) PTAFRALDH1A1KDM4EALOX15
SCHEMBL9744337 0.70 PTAFR (0.74) PTAFRALDH1A1KDM4E
SCHEMBL24581185 0.69 HRH3 (0.71) ALDH1A1SIGMAR1FAAHUSP2

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
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 — — EP disclosed
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