SCHEMBL7758380

SCHEMBL7758380

COc1ccccc1N1CCN(C[C@@H](CC2CCCCC2)NC(=O)C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
ADRA1A P35348 2/20 0.61
DRD3 P35462 2/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HTR1A P08908 7/20 0.59

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
SCHEMBL6068415 0.86 RECQL (0.55) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL8444546 0.84 ALDH1A1 (0.62) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL6068479 0.84 DRD2 (0.54) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL6068501 0.81 ADRA1A (0.55) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL7758406 0.81 HTR1A (0.59) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL6068170 0.79 DRD2 (0.52) DRD2ADRA1ADRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL6313945 0.77 RECQL (0.52) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL6068410 0.77 DRD2 (0.50) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL7758410 0.76 HTR1A (0.53) DRD2ADRA1ADRD3MEN1KMT2A
SCHEMBL8442569 0.75 HTR1A (0.55) DRD2ADRA1ADRD3MEN1KMT2A

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