SCHEMBL11096282

SCHEMBL11096282

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL8119451 0.85 CASP6 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9253569 0.85 DRD2 (0.66) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11095799 0.85 ALDH1A1 (0.55) ALDH1A1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7438856 0.85 BRD4 (0.46) ALDH1A1SMN1; SMN2SIGMAR1DRD2HTR2A
SCHEMBL11095969 0.83 POLB (0.50) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9252290 0.83 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9255015 0.82 MBTD1 (0.46) ALDH1A1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL9253376 0.81 HDAC1 (0.45) ALDH1A1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2317845 0.80 KMT2A (0.67) ALDH1A1KDM1AMAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 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