SCHEMBL9824700

SCHEMBL9824700

CNCCN1CCCCC1CN(C)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
PRMT8 Q9NR22 2/20 0.33
OPRD1 P41143 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
PRMT1 Q99873 1/20 0.30
S1PR4 O95977 1/20 0.30

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
SCHEMBL9824540 0.84 OPRD1 (0.33) S1PR1S1PR3S1PR5OPRD1
SCHEMBL9824531 0.84 OPRD1 (0.33) S1PR1S1PR3S1PR5OPRD1
SCHEMBL9825242 0.80 CARM1 (0.41) S1PR1S1PR3S1PR5CARM1PRMT6
SCHEMBL9824144 0.80 LTA4H (0.36) OPRD1TSHR
SCHEMBL9824314 0.80 LTA4H (0.36) OPRD1TSHR
SCHEMBL9824784 0.76 OPRD1 (0.33) OPRD1
SCHEMBL9824780 0.76 OPRD1 (0.33) OPRD1
SCHEMBL9824698 0.76 S1PR1 (0.35) S1PR1S1PR3S1PR5CARM1PRMT6
SCHEMBL9824706 0.76 S1PR1 (0.35) S1PR1S1PR3S1PR5CARM1PRMT6
SCHEMBL12477659 0.75 CARM1 (0.38) S1PR1S1PR3S1PR5CARM1PRMT6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273239-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1991-03-06 EP disclosed
US-4873236-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1989-10-10 US disclosed
EP-0273239-A1 Condensed diazepinones, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1988-07-06 EP disclosed