SCHEMBL7905465

SCHEMBL7905465

CC(C)=CCN1Cc2c(Cl)ccc(N)c2NC[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL7475113 0.89
SCHEMBL8844986 0.86 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8845010 0.85
SCHEMBL8844131 0.85
SCHEMBL8844216 0.82
SCHEMBL7471175 0.82
SCHEMBL8844143 0.82
SCHEMBL7902272 0.81 KDM4E (0.32)
SCHEMBL8844255 0.79 ADRA2A (0.30) ADRA2AADRA2BADRA2C
SCHEMBL7902304 0.77 ADRA2A (0.35) SIGMAR1ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0605499-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA NV (BE) 1997-11-12 EP disclosed
CN-1034122-C Antiviral tetrahydroimioazo [1,4] benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA NV (BE) 1997-02-26 CN disclosed
US-5599982-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-04 US disclosed
US-5543570-A Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-06 US disclosed
US-5463049-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-31 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
EP-0605499-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA N.V. (BE) 1994-07-13 EP 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-1993006106-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO[4,5,1-jk][1,4]-BENZODIAZEPIN-2(1H^_)-THIONES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-01 WO disclosed
EP-0534539-A1 Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed