SCHEMBL8690976

SCHEMBL8690976

COc1ccc2cccc(CC(=O)NC3CCCCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
MTNR1A P48039 11/20 0.62
MTNR1B P49286 5/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
EPHX2 P34913 1/20 0.58
POLB P06746 1/20 0.55
CNR2 P34972 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL8693684 0.96 MTNR1A (0.61) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL8690242 0.90 MTNR1A (0.68) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL8695744 0.88 MTNR1A (0.64) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL8693570 0.86 MTNR1A (0.69) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8694576 0.84 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL8693483 0.82 MTNR1A (0.62) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8693941 0.81 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2HTR2CHTR2B
SCHEMBL8017007 0.81 MTNR1A (0.76) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL2752183 0.81 EPHX1 (0.67) MEN1KMT2ASMN1; SMN2EPHX2POLB
SCHEMBL2751915 0.80 SIGMAR1 (0.67) MEN1KMT2ASMN1; SMN2EPHX2POLB

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-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed