SCHEMBL9410168

SCHEMBL9410168

COc1ccc(OCC(O)CNC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 1/20 0.64
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.51
ACHE P22303 1/20 0.51
ADRB2 P07550 2/20 0.50
CASR P41180 1/20 0.50
ADRB1 P08588 1/20 0.50

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 SCHEMBL9224643 0.99 MEN1 (0.67) MEN1KMT2AMAPTCYP2D6HTT
SCHEMBL9410194 0.86 MEN1 (0.67) MEN1KMT2ACYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL9410196 0.85 MEN1 (0.65) MEN1KMT2AMAPTCYP2D6ADRB2
SCHEMBL15677156 0.84 MEN1 (0.63) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL10595635 0.82 CYP2D6 (0.53) MEN1KMT2AMAPTCYP2D6HTT
SCHEMBL29266753 0.81 KMT2A (0.61) MEN1KMT2AMAPTHTTADRB2
Hydrochloric Acid SCHEMBL10593904 0.81 MAPT (0.53) MEN1KMT2AMAPTCYP2D6HTT
SCHEMBL27503651 0.80 ADRB2 (0.56) MEN1KMT2AMAPTCYP2D6HTT
SCHEMBL9410178 0.78 KMT2A (0.74) MEN1KMT2AMAPTADRB2CASR
SCHEMBL17024118 0.77 MEN1 (0.56) MEN1KMT2AMAPTHTTADRB2

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-0611748-A1 Propanolamine derivatives and their use as hypotensive or antiglaucoma agents Senju Pharmaceutical Co., Ltd. (JP) 1994-08-24 EP claimed