SCHEMBL11161262

SCHEMBL11161262

CC(=O)Nc1ccc(COCCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.56
▸ HTR1A P08908 4/20 0.56
▸ DRD2 P14416 5/20 0.56
▸ HTR2C P28335 4/20 0.55
▸ HTR2B P41595 3/20 0.55
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HTR7 P34969 2/20 0.54
▸ DRD3 P35462 1/20 0.53
▸ CACNA1G O43497 1/20 0.53
▸ TEAD3 Q99594 1/20 0.52
▸ REV1 Q9UBZ9 1/20 0.52

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
SCHEMBL11162874 0.83 DRD2 (0.55) HTR2AHTR1ADRD2MAPTHTR7
SCHEMBL11170405 0.83 MAPT (0.62) HTR2AHTR1ADRD2HTR2CMAPT
SCHEMBL23287628 0.79 MAPT (0.52) DRD2MAPT
SCHEMBL11165829 0.78 DRD2 (0.62) HTR2AHTR1ADRD2MAPTHTR7
SCHEMBL4383912 0.77 JAK2 (0.68) —
SCHEMBL9742938 0.75 MEN1 (0.70) MAPT
SCHEMBL11169527 0.75 DRD2 (0.58) HTR1ADRD2MAPTHTR7
SCHEMBL11169258 0.74 DRD2 (0.57) HTR1ADRD2MAPTHTR7
SCHEMBL23097600 0.74 HTR1A (0.66) HTR2AHTR1ADRD2MAPTRAB9A
SCHEMBL14378834 0.74 PTPN1 (0.64) MAPTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034752-B1 PHENOXYALKANE DERIVATIVE AND PROCESSES FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-06-08 — — EP claimed
EP-0034752-A1 Phenoxyalkane derivative and processes for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1981-09-02 — — EP claimed
JP-56118046-A — — None — — JP disclosed
JP-S56118046-A PROPANE DERIVATIVE AND ITS PREPARATION TANABE SEIYAKU CO LTD 1981-09-16 — — JP disclosed
EP-0034752-A1 Phenoxyalkane derivative and processes for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1981-09-02 — — EP disclosed
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