SCHEMBL21399652

SCHEMBL21399652

Cn1cc(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
HRH1 P35367 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SLC5A2 P31639 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.37
CDK2 P24941 1/20 0.36
SCN5A Q14524 4/20 0.36
SCN9A Q15858 3/20 0.36
IDH1 O75874 1/20 0.36
SNCA P37840 1/20 0.36
BACE1 P56817 1/20 0.36
KIF11 P52732 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL18508627 0.75 DRD2 (0.50) HTR6GPR84DRD2SLC6A4MEN1
SCHEMBL1092992 0.74 SLC6A4 (0.44) GPR84DRD2SLC6A4MEN1KMT2A
SCHEMBL2610331 0.74 MEN1 (0.47) MEN1KMT2ACDK2SNCA
SCHEMBL2610330 0.74 KMT2A (0.47) GPR84MEN1KMT2AALDH1A1SNCA
SCHEMBL21399614 0.73 SLC5A2 (0.39) HTR6GPR84SLC5A2ALDH1A1CHRM5
SCHEMBL2542209 0.71 CDK2 (0.51) HTR6GPR84DRD2SLC6A4MEN1
SCHEMBL29202637 0.71 GPR84 (0.48) GPR84SLC6A4ALDH1A1SCN9AKIF11
SCHEMBL2133199 0.71 KMT2A (0.47) MEN1KMT2AKDM4ESCN9AIDH1
SCHEMBL16597937 0.71 HTR2A (0.61) HTR6GPR84DRD2SLC6A4MEN1
Hydrochloric Acid SCHEMBL16598130 0.70 HTR2A (0.59) HTR6GPR84DRD2SLC6A4MEN1

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-2019183527-A1 OXIDIZED BIS(3-INDOLYL)METHANES AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-09-26 WO disclosed