SCHEMBL29756191

SCHEMBL29756191

c1cc2c(cc1-c1ccc3c(c1)CCN3)CCN2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
DRD4 P21917 1/20 0.63
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
S1PR1 P21453 2/20 0.47
PARP10 Q53GL7 4/20 0.46
PARP11 Q9NR21 4/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CD O00329 1/20 0.44
S1PR3 Q99500 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL28403784 1.00 DRD2 (0.63) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL1436033 0.90 KDM4E (0.63) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL27572419 0.88 DRD2 (0.72) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL19969998 0.88 DRD2 (0.52) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL4525557 0.88 PDE3B (0.56) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL31504072 0.87 DRD2 (0.50) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL31266571 0.85 DRD2 (0.49) DRD2DRD4S1PR1PARP10PARP11
SCHEMBL8528347 0.84 DRD2 (0.47) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL2676020 0.84 KIF11 (0.63) DRD2DRD4KDM4EMAPTMEN1
SCHEMBL31504071 0.84 PARP10 (0.64) DRD2DRD4KDM4EMAPTMEN1

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
CN-111095092-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-07-05 CN disclosed