SCHEMBL9823945

SCHEMBL9823945

NCCN1CCC(CNCC2CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
CXCR4 P61073 2/20 0.43
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CHRM5 P08912 1/20 0.33

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
SCHEMBL9824968 0.75 CXCR4 (0.43) CXCR4ADH1BADH1CADH1AADH4
SCHEMBL8030921 0.75 CXCR4 (0.48) GNAI3GNAO1GNAI1CXCR4ADH1B
SCHEMBL25344529 0.74 ARG1 (0.43) GNAI3GNAO1GNAI1PRMT3CARM1
SCHEMBL10064196 0.74 ARG1 (0.43) GNAI3GNAO1GNAI1PRMT3CARM1
SCHEMBL10064775 0.74 ARG1 (0.43) GNAI3GNAO1GNAI1PRMT3CARM1
SCHEMBL18286778 0.74 ALOX15 (0.48) GNAI3GNAO1GNAI1PRMT3CARM1
SCHEMBL9824407 0.74 CHRM5 (0.50) GNAI3GNAO1GNAI1PRMT3CARM1
SCHEMBL8043238 0.73 CXCR4 (0.49) GNAI3GNAO1GNAI1CXCR4ADH1B
SCHEMBL9036781 0.73 ADH1B (0.41) CXCR4CYP2D6ADH1BADH1CADH1A
SCHEMBL8047471 0.72 NCF1 (0.46) CXCR4ADH1BADH1CADH1AADH4

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