SCHEMBL9491966

SCHEMBL9491966

COc1ccc2ccc(CCNC(=O)C3CCC3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.64
MTNR1B P49286 8/20 0.64
NQO2 P16083 1/20 0.64
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.54
PTBP1 P26599 1/20 0.54

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
SCHEMBL9490611 0.98 MTNR1A (0.64) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL9490284 0.96 MTNR1A (0.65) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL9491275 0.95 MTNR1A (0.65) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL7417587 0.86 ALDH1A1 (0.70) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL31176222 0.85 MTNR1A (0.56) MTNR1AMTNR1BNQO2ALDH1A1HSD17B10
SCHEMBL9131926 0.85 MTNR1A (0.56) MTNR1AMTNR1BNQO2ALDH1A1HSD17B10
SCHEMBL2796287 0.82 POLB (0.71) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL8097845 0.82 MTNR1A (0.56) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL9491759 0.81 SMN1; SMN2 (0.70) MTNR1AMTNR1BKDM4ECYP1A2
SCHEMBL8961122 0.80 MTNR1A (0.92) MTNR1AMTNR1BNQO2ALDH1A1KDM4E

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-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed