SCHEMBL9458993

SCHEMBL9458993

CCOC(=O)CCNCC1Cc2cc(OC)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MTNR1A P48039 4/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
GLS O94925 2/20 0.41

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 SCHEMBL9118102 0.86 HRH3 (0.49) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL3905377 0.85 HRH3 (0.51) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL9628962 0.83 HRH3 (0.55) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL10394809 0.81 CYP19A1 (0.43) MTNR1ATSHR
SCHEMBL10257134 0.79 HRH3 (0.60) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL9629907 0.78 MTNR1A (0.52) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL5722693 0.77 HRH3 (0.51) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL3915713 0.76 TSHR (0.43) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL9118219 0.76 HRH3 (0.46) HRH3MTNR1AGABRA1GABRB2TP53
SCHEMBL9628115 0.75 HRH3 (0.57) HRH3MTNR1AGABRA1GABRB2TP53

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-5204334-A Inhibition of calcium resorption; osteoporosis; Paget's disease; bone disorders CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed