SCHEMBL9768425

SCHEMBL9768425

CC(C)NCC(O)COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.46
DNM1 Q05193 1/20 0.46
ADRB1 P08588 3/20 0.46
CYP2D6 P10635 1/20 0.46
ADRB3 P13945 1/20 0.46
MAPT P10636 1/20 0.43

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
SCHEMBL9768414 0.93 ADRB2 (0.47) ADRB2ADRB1MAPT
SCHEMBL9768407 0.85 RAD52 (0.46)
SCHEMBL9768406 0.79 SMN1; SMN2 (0.52) MAPT
SCHEMBL7332563 0.79 TOP2A (0.55) ADRB2ADRB1CYP2D6ADRB3
SCHEMBL7809148 0.79 ADRB2 (0.64) ADRB2DNM1ADRB1CYP2D6ADRB3
SCHEMBL10338976 0.78 ALDH1A1 (0.41) MAPT
SCHEMBL10614432 0.78 ALDH1A1 (0.45) MAPT
SCHEMBL10668875 0.77 KCNA3 (0.44)
SCHEMBL10667568 0.76 ALDH1A1 (0.51)
SCHEMBL9768420 0.75 PARP1 (0.50)

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-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed