SCHEMBL14489381

SCHEMBL14489381

C[C@H]1Cc2ccc(C#N)cc2[C@@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM1A O60341 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PNMT P11086 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PGR P06401 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL14489010 0.92 DRD2 (0.38) DRD2DRD3KDM1AMAOAMAOB
SCHEMBL14489427 0.89 PNMT (0.38) DRD2DRD3KDM1APNMTHTR2A
SCHEMBL14489151 0.84 TRPM5 (0.41) DRD2DRD3MAOAMAOBPNMT
SCHEMBL14488879 0.83 SLC6A4 (0.39) DRD2DRD3KDM1APNMTHTR2A
SCHEMBL14489380 0.82 DRD2 (0.40) DRD2DRD3PNMTHTR2AHTR2C
SCHEMBL14489202 0.82 DRD2 (0.36) DRD2DRD3KDM1APNMTHTR2A
SCHEMBL14489506 0.82 KDM1A (0.43) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL14489401 0.81 MCHR1 (0.40) KDM1AMAOBNPC1RAB9AABCC9
SCHEMBL14489288 0.79 DRD3 (0.41) DRD2DRD3PNMTHTR2AHTR2C
SCHEMBL14489294 0.79 HTR2C (0.36) DRD2DRD3MAOBPNMTHTR2A

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-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed