SCHEMBL27992199

SCHEMBL27992199

CC[C@@](NC(C)C)(OC)c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ CASR P41180 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL27992241 1.00 ADRB2 (0.33) ADRB2ADRB1ALDH1A1HTTCASR
SCHEMBL27992377 0.81 HDAC6 (0.33) ADRB2ADRB1MEN1KMT2AADRB3
SCHEMBL27992134 0.81 — —
SCHEMBL28815381 0.76 KMT2A (0.33) HTTSMN1; SMN2MEN1KMT2AKCNN4
SCHEMBL27992441 0.76 KMT2A (0.33) HTTSMN1; SMN2MEN1KMT2AKCNN4
SCHEMBL27918517 0.74 OPRK1 (0.41) ADRB2ADRB1ALDH1A1SLC6A2SLC6A4
SCHEMBL27992141 0.74 OPRK1 (0.41) ADRB2ADRB1ALDH1A1SLC6A2SLC6A4
SCHEMBL27992181 0.74 OPRK1 (0.41) ADRB2ADRB1ALDH1A1SLC6A2SLC6A4
SCHEMBL27992409 0.68 HTT (0.36) ALDH1A1HTTSMN1; SMN2NPC1MEN1
SCHEMBL9160945 0.66 KCNN4 (0.43) HTTSLC6A2SLC6A4SLC6A3LMNA

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
CN-104136416-A Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO PHARM SOLUTIONS CO LTD 2014-11-05 — — CN disclosed
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