SCHEMBL9819936

SCHEMBL9819936

CCCCCCCCCCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.75
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TBXAS1 P24557 5/20 0.53
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
Hydrochloric Acid SCHEMBL9819882 0.99 PTAFR (0.73) PTAFRKDM4EALDH1A1TBXAS1POLB
Fumaric Acid SCHEMBL9819820 0.95 PTAFR (0.70) PTAFRKDM4EALDH1A1TBXAS1POLB
Fumaric Acid SCHEMBL9819823 0.95 PTAFR (0.70) PTAFRKDM4EALDH1A1TBXAS1POLB
SCHEMBL9744339 0.86 PTAFR (0.91) PTAFRKDM4EALDH1A1TBXAS1
Hydrochloric Acid SCHEMBL9819839 0.86 PTAFR (0.93) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9819753 0.85 PTAFR (1.00) PTAFRKDM4EALDH1A1TBXAS1
Hydrochloric Acid SCHEMBL9819996 0.85 PTAFR (0.98) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9819716 0.84 PTAFR (0.53) PTAFRKDM4EALDH1A1TBXAS1POLB
SCHEMBL9819827 0.84 PTAFR (0.77) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9744361 0.84 PTAFR (0.71) PTAFRKDM4EALDH1A1TBXAS1

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