SCHEMBL8522957

SCHEMBL8522957

CCC(=O)NC1Cc2ccccc2C1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.56
MTNR1B P49286 10/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
DRD2 P14416 1/20 0.37

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
SCHEMBL24286235 0.85 TSHR (0.41) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL22787575 0.85 TSHR (0.41) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL22787536 0.85 TSHR (0.41) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL2467842 0.83 MTNR1A (0.46) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL19797799 0.83 MTNR1A (0.46) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL14348198 0.77 EPHX2 (0.49) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL8310630 0.77 EPHX2 (0.49) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL14348200 0.77 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL27203790 0.77 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL19183082 0.75 GRM7 (0.60) MTNR1AMTNR1BCYP1A2ALOX15MEN1

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-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed