SCHEMBL8694576

SCHEMBL8694576

COc1ccc2cccc(CCCC(=O)NC3CCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.65
MTNR1B P49286 7/20 0.61
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL8695744 0.97 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8693570 0.94 MTNR1A (0.69) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8690242 0.90 MTNR1A (0.68) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8693684 0.88 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL8690976 0.84 MEN1 (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL6247364 0.83 MTNR1A (0.86) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8693024 0.83 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8690045 0.82 MTNR1A (0.70) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8689984 0.81 MTNR1A (0.81) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL5337584 0.81 EPHX2 (0.54) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6

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