SCHEMBL7484841

SCHEMBL7484841

CC1CNc2c(N)cccc2CN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PARP1 P09874 1/20 0.38
SIGMAR1 Q99720 4/20 0.36
RGS12 O14924 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL7902262 0.82 HTR1A (0.39)
SCHEMBL9529927 0.80 PRCP (0.40) SIGMAR1
SCHEMBL9530017 0.72 CACNA1G (0.42) MAPTKDM4EMEN1KMT2ATMEM97
SCHEMBL9702700 0.72 SIGMAR1 (0.33) SIGMAR1KMT2A
SCHEMBL9701097 0.69 SIGMAR1 (0.34) SIGMAR1RGS12MEN1CYP1A2CYP3A4
SCHEMBL7797306 0.68 MEN1 (0.36) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL7353662 0.67 GRIN2B (0.40) SIGMAR1KDM4E
SCHEMBL6741206 0.65 MAPT (0.68) MAPTSIGMAR1
SCHEMBL27979641 0.65 MAPT (0.68) MAPTSIGMAR1
SCHEMBL4048121 0.65 MAPT (0.68) MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
US-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 US disclosed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed