SCHEMBL8406288

SCHEMBL8406288

CC(N)CCN1CC(C)N(CCC(C)N)CC1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
OPRM1 P35372 1/20 0.32
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 0.30

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
SCHEMBL8406314 0.80 KCNJ1 (0.38) SIGMAR1
SCHEMBL8406419 0.79 OPRM1 (0.31) OPRM1
SCHEMBL8406252 0.78 SIGMAR1 (0.48) SIGMAR1
SCHEMBL8406283 0.78 PIK3CD (0.31) SIGMAR1
SCHEMBL13995527 0.77
SCHEMBL6908034 0.75
SCHEMBL20977146 0.74 SIGMAR1 (0.33) SIGMAR1
SCHEMBL9501299 0.73 DPP4 (0.34)
SCHEMBL20723859 0.72 SIGMAR1 (0.41) SIGMAR1
SCHEMBL18912886 0.72 SIGMAR1 (0.41) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765083-B2 Acid gas absorbent composition NALCO COMPANY (US) 2014-07-01 US disclosed
US-8765083-B2 Acid gas absorbent composition NALCO COMPANY (US) 2014-07-01 US disclosed
US-8765951-B2 Acid gas absorbent composition NALCO COMPANY (US) 2014-07-01 US disclosed
US-8765951-B2 Acid gas absorbent composition NALCO COMPANY (US) 2014-07-01 US disclosed
US-20130240782-A1 ACID GAS ABSORBENT COMPOSITION CHAMPIONX LLC 2013-09-19 US disclosed
US-20130240782-A1 ACID GAS ABSORBENT COMPOSITION CHAMPIONX LLC 2013-09-19 US disclosed
US-20120128561-A1 ACID GAS ABSORBENT COMPOSITION US SYNTHETIC CORPORATION 2012-05-24 US disclosed
US-20120128561-A1 ACID GAS ABSORBENT COMPOSITION US SYNTHETIC CORPORATION 2012-05-24 US disclosed