SCHEMBL11237192

SCHEMBL11237192

Cc1ccc(OCC(O)CN2CCC(COc3ccccn3)CC2)c2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 3/20 0.41
POLB P06746 1/20 0.40
ABCB1 P08183 2/20 0.40
DRD2 P14416 1/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL11371584 0.99 KMT2A (0.49) KMT2AMEN1LMNAMAPTNPY1R
SCHEMBL11237174 0.93 KMT2A (0.47) KMT2AMEN1LMNAMAPTNPY1R
Hydrochloric Acid SCHEMBL11371576 0.92 KMT2A (0.49) KMT2AMEN1LMNAMAPTNPY1R
Hydrochloric Acid SCHEMBL11370276 0.84 KMT2A (0.36) KMT2AMEN1LMNAMAPTDRD4
Hydrochloric Acid SCHEMBL11377709 0.82 KMT2A (0.50) KMT2AMEN1LMNAMAPTNPY1R
Hydrochloric Acid SCHEMBL11382232 0.79 LMNA (0.46) KMT2AMEN1LMNAMAPTNPY1R
Hydrochloric Acid SCHEMBL11370273 0.78 KMT2A (0.36) KMT2AMEN1LMNAMAPTDRD4
Hydrochloric Acid SCHEMBL11382223 0.77 ADRB2 (0.47) KMT2AMEN1LMNAMAPTNPY1R
Hydrochloric Acid SCHEMBL11371140 0.75 DRD4 (0.47) KMT2AMEN1LMNAMAPTNPY1R
SCHEMBL11469923 0.74 DRD4 (0.44) DRD4ABCB1DRD2

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
EP-0014928-B1 PIPERIDINOPROPYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1982-05-05 EP disclosed
US-4288442-A Inhibiting adrenergic β-receptors with piperidinopropyl derivatives BOEHRINGER MANNHEIM GMBH (DE) 1981-09-08 US disclosed