SCHEMBL7339476

SCHEMBL7339476

CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 3/20 0.49
HTR6 P50406 1/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
MC4R P32245 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7339635 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRKMT2AHTR6
SCHEMBL7349543 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRKMT2AHTR6
SCHEMBL7341990 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL7341844 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRKMT2AHTR6
SCHEMBL7342306 0.79 MEN1 (0.56) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL7340688 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL7343939 0.79 CACNA2D1 (0.50) ALDH1A1KDM4ETSHRKMT2AL3MBTL1
SCHEMBL7349167 0.79 RNF4 (0.59) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL7343019 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHTR6POLB
SCHEMBL7339492 0.77 POLB (0.58) ALDH1A1KDM4ETSHRKMT2AMEN1

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-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed