SCHEMBL7363419

SCHEMBL7363419

Nc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.74
DRD2 P14416 2/20 0.74
HTR2A P28223 2/20 0.74
HTR2C P28335 2/20 0.74
HTR2B P41595 2/20 0.74

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
SCHEMBL7364658 0.87 SIGMAR1 (0.76) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7358604 0.85 SIGMAR1 (0.74) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7358803 0.85 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AHTR2CHTR2B
Bromide SCHEMBL467156 0.84 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL22326357 0.82 SIGMAR1 (0.50) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7357328 0.82 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL8923695 0.81 BCHE (0.62)
Hydrochloric Acid SCHEMBL8127276 0.80 BCHE (0.63)
SCHEMBL8119451 0.79 CASP6 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL18753913 0.78 CA12 (0.54) SIGMAR1DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296479-A Treating physiological or drug-induced psychosis or dyskinesia THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-22 US disclosed
US-5266572-A Antipsychotic 1-cycloalkylpiperidines THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-30 US disclosed
US-5243048-A Treatment of drug-induced or physiological psychosis or dyskinesia; side effect reduction THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
EP-0490962-A4 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES 1993-03-03 EP disclosed
EP-0490962-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-24 EP disclosed
US-5109002-A ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-28 US disclosed
WO-1991003243-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO disclosed