SCHEMBL21141876

SCHEMBL21141876

NC(O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.52
▸ GRM3 Q14832 1/20 0.52
▸ HTR2A P28223 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DPP4 P27487 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ AOC3 Q16853 3/20 0.45

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
SCHEMBL27816219 0.83 SCN4A (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL9316056 0.83 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL27397530 0.79 LMNA (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7691241 0.79 TRPA1 (0.59) TAAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL9737526 0.79 LMNA (0.48) GRM2GRM3HTR2ATAAR1LMNA
SCHEMBL10622687 0.79 HTR2A (0.55) GRM2GRM3HTR2ATAAR1DPP4
SCHEMBL10403569 0.78 HRH1 (0.56) GRM2GRM3HTR2ATAAR1LMNA
SCHEMBL9838705 0.78 HTR2A (0.58) GRM2GRM3HTR2ATAAR1DPP4
Hydrochloric Acid SCHEMBL31706544 0.78 TRPA1 (0.57) TAAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL11710648 0.76 TAAR1 (0.58) GRM2GRM3HTR2ATAAR1HRH1

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-3510102-A1 POLYALKYLENE TEREPHTHALATE COMPOSITIONS Lanxess Deutschland GmbH (DE) 2019-07-17 — — EP claimed
CN-107001775-B Amphiphilic comb polymer containing methacrylic anhydride 陶氏环球技术有限责任公司 2020-01-14 — — CN disclosed
CN-104053660-A Long-acting injectable moxidectin formulations and novel moxidectin crystalline forms MERIAL LTD 2014-09-17 — — CN disclosed
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