SCHEMBL9823982

SCHEMBL9823982

NCCN1CCC(CCN2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
PRMT3 O60678 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
CYP1A2 P05177 1/20 0.44
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL1307481 0.98 ALOX15 (0.48) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL9824858 0.89 HRH3 (0.45) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL9824301 0.87 HRH3 (0.48) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL9824505 0.83 ALOX15 (0.41) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL11410375 0.83 ALOX15 (0.55) ALOX15PRMT3CARM1PRMT6PRMT1
SCHEMBL10153844 0.83 CYP1A2 (0.54) CARM1PRMT6PRMT8CYP1A2CHRM5
SCHEMBL20284518 0.82 CYP1A2 (0.46) CYP1A2CHRM5ADRA2CHRH3ACHE
SCHEMBL12945 0.81 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL3218288 0.81 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL30340999 0.81 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3SIGMAR1

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