SCHEMBL9762677

SCHEMBL9762677

CN(Cc1ccccc1)C[C@@H](O)CC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.54
AGER Q15109 1/20 0.48
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
MAOB P27338 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
PYCR1 P32322 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL9761751 1.00 DNM1 (0.54) DNM1AGERTSHRLMNAMAOB
SCHEMBL9762895 1.00 DNM1 (0.54) DNM1AGERTSHRLMNAMAOB
SCHEMBL9762027 0.81 POLB (0.58) TSHRLMNAALDH1A1KDM4EMAPK1
SCHEMBL20213727 0.80 DNM1 (0.59) DNM1AGERTSHRLMNAMAOB
SCHEMBL17823521 0.80 DNM1 (0.59) DNM1AGERTSHRLMNAMAOB
SCHEMBL721952 0.80 DNM1 (0.59) DNM1AGERTSHRLMNAMAOB
SCHEMBL14923120 0.80 DNM1 (0.59) DNM1AGERTSHRLMNAMAOB
SCHEMBL17824014 0.80 DNM1 (0.59) DNM1AGERTSHRLMNAMAOB
SCHEMBL22873959 0.78 ALDH1A1 (0.43) TSHRALDH1A1MAPK1
SCHEMBL30576434 0.78 ALDH1A1 (0.43) TSHRALDH1A1MAPK1

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
US-4990683-A Process for preparing 3-pyrrolidinols A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed