SCHEMBL21891273

SCHEMBL21891273

COc1cccc2c1C1c3c(OC)cccc3N(C)c3cccc(c31)N2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
AADAT Q8N5Z0 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 2/20 0.39
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL21891271 0.96 DRD2 (0.41) DRD2DRD3AADATCA12CA1
SCHEMBL23956836 0.87 DRD2 (0.41) DRD2DRD3HTR1A
SCHEMBL30056324 0.86 SLC6A2 (0.46) DRD2DRD3CA12CA1CA2
SCHEMBL28415327 0.86 SLC6A2 (0.46) DRD2DRD3CA12CA1CA2
SCHEMBL28421841 0.85 HTR2A (0.38) DRD2DRD3AADATLMNAALDH1A1
SCHEMBL23956837 0.85 DRD2 (0.34) DRD2DRD3HTR1A
Bromide SCHEMBL28414889 0.84 SLC6A2 (0.44) DRD2DRD3CA12CA1CA2
Bromide SCHEMBL30053593 0.84 HTR2A (0.38) DRD2DRD3AADATLMNAALDH1A1
Bromide SCHEMBL28416854 0.84 HTR2A (0.38) DRD2DRD3AADATLMNAALDH1A1
SCHEMBL28415688 0.83 MAPT (0.41) ALDH1A1MAPTHPGDKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020070672-A1 HYDRIDE DONORS AS AN ADDITIVE FOR REDUCING LOW SPEED PRE-IGNITION EVENTS CHEVRON ORONITE COMPANY LLC (US) 2020-04-09 WO disclosed