SCHEMBL9790495

SCHEMBL9790495

O=C(NCC=Cc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
PAM P19021 1/20 0.49
KMT2A Q03164 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOA P21397 4/20 0.41

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
SCHEMBL9790488 1.00 MAOB (0.53) MAOBPAMKMT2AHDAC3HDAC4
SCHEMBL11551476 0.85 LMNA (0.47) MAOBKMT2AMMP1MMP2MMP9
SCHEMBL11553500 0.84 GRIK1 (0.43) KMT2AHDAC3HDAC4HDAC1HDAC2
SCHEMBL11552798 0.84 RAB9A (0.43) KMT2AHDAC1HDAC8HDAC7MMP1
SCHEMBL973709 0.83 MAOB (0.53) MAOBPAMKMT2AHDAC3HDAC4
SCHEMBL973710 0.83 MAOB (0.53) MAOBPAMKMT2AHDAC3HDAC4
SCHEMBL11552406 0.82 CYP1A2 (0.49) MAOBKMT2AMAOAGRIK1GRIK2
SCHEMBL3125680 0.82 NPSR1 (0.48) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL11552409 0.82 CYP1A2 (0.49) MAOBKMT2AMAOAGRIK1GRIK2
SCHEMBL3125691 0.82 NPSR1 (0.48) MAOBHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994569-A Cholecystokinin antagonists RHONE-POULENC SANTE (FR) 1991-02-19 US disclosed
EP-0000154-B1 NEW BENZ(F)ISOINDOLINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANDOZ AG (CH) 1981-07-29 EP disclosed
US-4171369-A ANALGESICS, ANTIDEPRESSANTS SANDOZ LTD. (CH) 1979-10-16 US disclosed
US-4164583-A SEDATIVES, TRANQUILIZERS SANDOZ LTD. (CH) 1979-08-14 US disclosed
EP-0000154-A1 New benz(f)isoindolines, their preparation and medicaments containing them SANDOZ AG (CH) 1979-01-10 EP disclosed