SCHEMBL7562601

SCHEMBL7562601

COc1cc2c(cc1CNN1CCCCC1c1ccccc1)N(C)C(=O)SC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TRIM24 O15164 1/20 0.33
CYP2D6 P10635 1/20 0.33
TACR1 P25103 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 6/20 0.33
DRD3 P35462 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
ROCK2 O75116 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7562609 0.86 TRIM24 (0.48) POLBTRIM24
SCHEMBL7562605 0.77 ROCK2 (0.35) POLBTRIM24KMT2ADRD2DRD3
SCHEMBL7828478 0.76 TACR1 (0.59) CYP2D6TACR1HTR2A
SCHEMBL6229464 0.76 TACR1 (0.59) CYP2D6TACR1HTR2A
SCHEMBL1626959 0.75 KMT2A (0.53) POLBTACR1KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6228510 0.75 TACR1 (0.58) CYP2D6TACR1HTR2A
Hydrochloric Acid SCHEMBL8592303 0.75 TACR1 (0.58) CYP2D6TACR1HTR2A
SCHEMBL8328961 0.74 TACR1 (0.53) TACR1KMT2AGAADRD2MEN1
SCHEMBL8328962 0.74 TACR1 (0.53) TACR1KMT2AGAADRD2MEN1
Hydrochloric Acid SCHEMBL6902564 0.74 MEN1 (0.37) POLBTACR1KMT2AGAAMEN1

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
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed