SCHEMBL9625682

SCHEMBL9625682

Cc1cc2c(cc1C)C(=O)N(CCCN(C)CCCc1csc3ccccc13)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
HTR6 P50406 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMPD1 P17405 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL9624520 0.97 PRKCB (0.34) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9624291 0.96 SMPD1 (0.36) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9624076 0.88 PRKCB (0.33) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9623834 0.88 HCN4 (0.43) DRD2DRD3KCNH2HTR1AMAPT
SCHEMBL9624529 0.86 MAPT (0.37) HDAC6MAPTLMNA
SCHEMBL9624996 0.85 MAPT (0.42) DRD2DRD3MAPTSMPD1
SCHEMBL9624436 0.85 PRKCB (0.33) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9624168 0.85 SMPD1 (0.36) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL9624219 0.84 MAPT (0.45) DRD2DRD3MAPTSMPD1
SCHEMBL9625186 0.84 SMPD1 (0.34) PRKCBPRKCAPRKCHPRKCEPRKCQ

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
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed