SCHEMBL7136275

SCHEMBL7136275

O=C1c2cc(Cl)ccc2CCn2ncnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.41
GABRB3 P28472 10/20 0.41
GABRA5 P31644 10/20 0.41
GABRA1 P14867 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TYMS P04818 2/20 0.38
IDO1 P14902 1/20 0.36
APAF1 O14727 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
S100A4 P26447 1/20 0.35
METAP1 P53582 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL7136243 0.80 CES1 (0.47) GABRG2GABRB3GABRA5
SCHEMBL7174262 0.78 PTAFR (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7138938 0.77 HRH1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7136428 0.75 GABRG2 (0.38) GABRG2GABRB3GABRA5IDO1HTR2A
SCHEMBL7142948 0.72 HRH1 (0.55) GABRG2GABRB3GABRA5HTR2AHTR2B
SCHEMBL16559383 0.71 F7 (0.58) F7PARP1F3PARP10TYMS
SCHEMBL7908815 0.69 GABRG2 (0.42) GABRG2GABRB3GABRA5HTR2AHTR2C
SCHEMBL11615476 0.69 ACHE (0.51) F7PARP1F3PARP10HTR2A
SCHEMBL11882248 0.65 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6387824 0.64 L3MBTL1 (0.64) F7PARP1F3PARP10S100A4

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
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed