SCHEMBL9768414

SCHEMBL9768414

CC(C)NCC(O)COc1ccc2c(c1)[nH]c(=O)c1c3ccc(OCC(O)CNC(C)C)cc3oc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.47
ADRB1 P08588 2/20 0.47
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL9768425 0.93 ADRB2 (0.46) ADRB2ADRB1MAPT
SCHEMBL9768405 0.78 L3MBTL1 (0.52) MAPT
SCHEMBL9768407 0.78 RAD52 (0.46)
SCHEMBL10668886 0.76 ALDH1A1 (0.54) MAPTPTGS1SLC6A2
SCHEMBL11169246 0.76 ADRB2 (0.56) ADRB2ADRB1PTGS1SLC6A2
SCHEMBL10669694 0.76 CA12 (0.43)
SCHEMBL7332563 0.75 TOP2A (0.55) ADRB2ADRB1
SCHEMBL10670024 0.75 KDM4E (0.51) MAPT
SCHEMBL31550532 0.74 ADRB1 (0.59) ADRB2ADRB1PTGS1SLC6A2
SCHEMBL7809148 0.74 ADRB2 (0.64) ADRB2ADRB1MAPTPTGS1SLC6A2

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-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed
EP-0370760-A2 Benzofuro[3,2-c]quinoline compounds Kissei Pharmaceutical Co., Ltd. (JP) 1990-05-30 EP disclosed