SCHEMBL8570951

SCHEMBL8570951

O=C(O)Cc1cccc2ccc(OCC3CC3)cc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.62
MTNR1B P49286 6/20 0.55
TDP1 Q9NUW8 1/20 0.50
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL8570925 0.81 MTNR1A (0.63) MTNR1AMTNR1BTDP1MEN1LMNA
SCHEMBL8576193 0.79 MTNR1A (0.69) MTNR1AMTNR1BTDP1
SCHEMBL8571135 0.79 MTNR1A (0.66) MTNR1AMTNR1BTDP1
SCHEMBL8570983 0.79 MTNR1A (0.65) MTNR1AMTNR1BTDP1KCNH2
SCHEMBL3914252 0.78 MTNR1A (0.64) MTNR1AMTNR1BTDP1
SCHEMBL30692247 0.78 MTNR1A (0.64) MTNR1AMTNR1BTDP1
SCHEMBL8031027 0.77 MTNR1A (0.59) MTNR1AMTNR1BSLC6A2SLC6A4HTR3A
SCHEMBL8573031 0.77 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL4749622 0.77 MTNR1A (0.63) MTNR1AMTNR1BTDP1
SCHEMBL8575242 0.76 MTNR1A (0.69) MTNR1AMTNR1B

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-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed