SCHEMBL7943973

SCHEMBL7943973

COc1ccc(-c2ccccn2)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CETP P11597 2/20 0.36
FAAH O00519 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL7950741 0.86 TRPV1 (0.41) ABHD6GRIN1GRIN2BTRPV1KDM4E
SCHEMBL7141017 0.83 ABHD6 (0.43) ABHD6MAPTKDM4EHPGDRAB9A
SCHEMBL7951517 0.77 GAA (0.45) ABHD6HPGDFAAH
SCHEMBL5755628 0.77 ABHD6 (0.41) ABHD6GRIN1GRIN2BMAPTKDM4E
SCHEMBL7950929 0.75 ABHD6 (0.43) ABHD6GRIN1GRIN2BMAPTSMN1; SMN2
SCHEMBL7213528 0.74 KMT2A (0.40) ABHD6MAPTKDM4EHPGDNPSR1
SCHEMBL7214134 0.73 KMT2A (0.38) ABHD6MAPTCETP
SCHEMBL7212915 0.73 KMT2A (0.39) ABHD6MAPTCETP
SCHEMBL7208554 0.73 KMT2A (0.39) ABHD6MAPTCETP
SCHEMBL7956984 0.73 TP53 (0.41) ABHD6MAPTHPGDSMN1; SMN2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed