SCHEMBL8406262

SCHEMBL8406262

CCC(N)CN1CC(C)NC(C)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL20977144 1.00 SIGMAR1 (0.32) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL8406254 0.86 SIGMAR1 (0.31) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL8406250 0.79 SIGMAR1 (0.33) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL3101511 0.78 SIGMAR1 (0.33) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL8406296 0.76
SCHEMBL3106033 0.74 PIK3CD (0.48) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL17739002 0.74 PIK3CD (0.48) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL3093184 0.72 TSHR (0.33) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL13800042 0.71 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL3105690 0.71 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AALDH1A1TP53

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-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-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-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