SCHEMBL7759804

SCHEMBL7759804

COc1ccccc1C1CCN(C[C@@H](CC2CCCCC2)N(C)C(=O)C2(C)CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.40
CHRM4 P08173 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTSR1 P30989 2/20 0.39
OPRM1 P35372 1/20 0.39
HTR7 P34969 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL7758410 0.86 HTR1A (0.53) MEN1KMT2ADRD2DRD4HTR7
SCHEMBL7760241 0.85 MEN1 (0.54) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL6068291 0.85 MEN1 (0.48) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL7955962 0.80 HTR1A (0.42) MEN1KMT2ADRD2CHRM4MAPK1
SCHEMBL7155140 0.77 MEN1 (0.54) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL6068330 0.77 MEN1 (0.54) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL6068222 0.75 DRD2 (0.53) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL6068249 0.75 DRD2 (0.55) MEN1KMT2ADRD2DRD4MAPK1
SCHEMBL6068487 0.75 MEN1 (0.49) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL6177901 0.74 MEN1 (0.50) MEN1KMT2ADRD2DRD4CHRM4

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-1087954-A1 CYCLOALKYL-SUBSTITUTED ARYL-PIPERAZINES, PIPERIDINES AND TETRAHYDROPYRIDINES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-04 EP claimed
WO-1999065887-A1 CYCLOALKYL-SUBSTITUTED ARYL-PIPERAZINES, PIPERIDINES AND TETRAHYDROPYRIDINES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-23 WO claimed