SCHEMBL27775281

SCHEMBL27775281

CCCC(C)(C(=O)O)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38

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
SCHEMBL7441473 0.87 ARG1 (0.41) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL26127861 0.86 GNAO1 (0.44) ARG1ARG2GNAI3GNAO1GNAI1
SCHEMBL3147437 0.83 SSTR4 (0.36) EPHX1CCR2CYP2D6
SCHEMBL4969315 0.81 ARG1 (0.41) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL1724160 0.78 ITGB3 (0.43) ARG1ARG2TSHRPMP22GNAI3
SCHEMBL20683515 0.78 ARG1 (0.38) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL31340040 0.76 SLC6A1 (0.39) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL8873859 0.74 GABRA5 (0.44) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL15910211 0.74 GABRA5 (0.44) ARG1ARG2GABRA5GABRB2GABRA1
SCHEMBL3271255 0.73 CYP1A2 (0.39) EPHX1

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
CN-101679413-B New 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL LAB 2013-07-03 CN disclosed
CN-102639132-A Novel 7-phenyl- [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -one derivatives ALMIRALL SA 2012-08-15 CN disclosed
CN-102026972-A New substituted spiro[cycloalkyl-1,3'-indol]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors ALMIRALL SA 2011-04-20 CN disclosed
CN-102015680-A New substituted indolin-2-one derivatives and their use as p38 mitogen-activated kinase inhibitors ALMIRALL SA 2011-04-13 CN disclosed
CN-101679413-A New 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL LAB 2010-03-24 CN disclosed
CN-101679417-A New 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL LAB 2010-03-24 CN disclosed