SCHEMBL6862141

SCHEMBL6862141

NCC1Cc2c[nH]c3cccc(c23)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 3/20 0.53
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKD3 O94806 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKD1 Q15139 1/20 0.40
DRD2 P14416 11/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 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
SCHEMBL8798803 0.80 PARP1 (0.54) PRKCDPRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8798710 0.79 PARP1 (0.52) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL4371802 0.73 GAA (0.46) MAPT
SCHEMBL18402760 0.73 GAA (0.46) MAPT
Hydrochloric Acid SCHEMBL27699649 0.72 GAA (0.44) MAPT
SCHEMBL9485325 0.70 PARP1 (0.51) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL6863912 0.70 HTR7 (0.56) PRKCDDRD2KDM4EMEN1ALDH1A1
SCHEMBL3658074 0.67 MEN1 (0.44) DRD2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8798234 0.66 PRKCD (0.58) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL8475598 0.65 PRKCD (0.72) PRKCDPRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088838-A1 NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
WO-2011088836-A1 NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed