SCHEMBL7282602

SCHEMBL7282602

CSc1ccc(OCC(O)CN2CCN(C(C(N)=O)c3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 6/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
HTR7 P34969 1/20 0.51
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7288432 0.89 MEN1 (0.69) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL7288797 0.89 CYP2D6 (0.65) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL7288741 0.89 USP2 (0.65) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL7279366 0.87 CYP2D6 (0.49) MEN1KMT2AL3MBTL1CYP2D6MAPT
SCHEMBL7280914 0.86 CYP2D6 (0.52) MEN1KMT2ALMNANPSR1HTT
SCHEMBL7291959 0.86 KMT2A (0.51) MEN1KMT2ALMNANPSR1CYP2D6
SCHEMBL10835709 0.85 CYP2D6 (0.66) MEN1KMT2AL3MBTL1CYP2D6POLB
SCHEMBL7278589 0.84 KMT2A (0.60) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL7288616 0.84 CYP2D6 (0.65) MEN1KMT2ALMNANPSR1L3MBTL1
SCHEMBL7288820 0.83 CYP2D6 (0.64) MEN1KMT2AL3MBTL1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed