SCHEMBL8207085

SCHEMBL8207085

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCc2ccccc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HIF1A Q16665 1/20 0.35
PLAAT3 P53816 2/20 0.35
PLAAT5 Q96KN8 2/20 0.35
PLAAT2 Q9NWW9 2/20 0.35
PLAAT4 Q9UL19 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GFER P55789 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
BACE1 P56817 1/20 0.34
HSD11B1 P28845 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL8199243 0.86 GRIN2B (0.46) SIGMAR1OPRM1
SCHEMBL8199090 0.85 GRIN2B (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8199533 0.83 GRIN2B (0.43) POLBPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8199188 0.82 GRIN2B (0.40) SIGMAR1ADRB2CHRM2CHRM4ADRB1
Hydrochloric Acid SCHEMBL8209834 0.82 GRIN2B (0.46) SIGMAR1OPRM1
SCHEMBL8209728 0.81 HRH1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8199053 0.81 TAAR1 (0.50) ALDH1A1ADRB2CHRM2CHRM4ADRB1
SCHEMBL8205354 0.80 MEN1 (0.43) ALDH1A1SIGMAR1OPRM1LMNAMEN1
SCHEMBL8208907 0.80 CHRM2 (0.40) ALDH1A1HSD11B1CHRM2CHRM4CHRM5
SCHEMBL8205244 0.80 TAAR1 (0.49) ALDH1A1SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed