SCHEMBL9253569

SCHEMBL9253569

CC(=O)N1CCC(CC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
HTR2A P28223 2/20 0.66
HTR2C P28335 2/20 0.66
HTR2B P41595 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
KMT2A Q03164 1/20 0.48

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
SCHEMBL11101318 0.87 SIGMAR1 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9247297 0.86 KMT2A (0.52) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8119451 0.85 CASP6 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11095799 0.85 ALDH1A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11096282 0.85 ALDH1A1 (0.59) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9256634 0.83 KMT2A (0.54) DRD2KMT2A
SCHEMBL11095969 0.83 POLB (0.50) KMT2A
SCHEMBL9252290 0.83 SIGMAR1 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9252995 0.82 KMT2A (0.53) DRD2KMT2A
SCHEMBL5469826 0.82 DRD2 (0.73) DRD2HTR2AHTR2CHTR2BSIGMAR1

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-5441967-A Treating cerebral edema; anticholinesterase or brain function-improving agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-15 US disclosed
US-5294625-A 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0378207-B1 CYCLIC AMINE COMPOUNDS AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5177087-A Cerebral edema, cholinesterase inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 US disclosed