SCHEMBL3927737

SCHEMBL3927737

CC[N]C(=O)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
GNAI3 P08754 4/20 0.41
GNAO1 P09471 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
SCHEMBL3935662 0.88 GABRA5 (0.39) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1678457 0.84
SCHEMBL7339919 0.80 CES2 (0.40) TSHREPHX1ALDH1A1SMN1; SMN2
SCHEMBL8385049 0.80
SCHEMBL7331382 0.78 CES2 (0.44) TSHRMEN1KMT2AEPHX1ALDH1A1
SCHEMBL7334716 0.78 CES2 (0.44) TSHRMEN1KMT2AEPHX1ALDH1A1
SCHEMBL3936016 0.77 SLC6A1 (0.53) TSHRGABRA1GABRA5GABRB2GABRA4
SCHEMBL3929196 0.76 TSHR (0.52) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL15360055 0.73 TSHR (0.54) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL2409709 0.71 GABRA1 (0.52) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed