SCHEMBL12371304

SCHEMBL12371304

c1ccc(C2CCC(CC3CCC(c4ccccc4)N3)N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 2/20 0.37
SCN3A Q9NY46 1/20 0.37
PRCP P42785 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5512850 0.84 TRPM5 (0.42) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL4371456 0.84 HTR2C (0.41) MEN1KMT2A
SCHEMBL5512851 0.84 TRPM5 (0.42) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL5771665 0.82 POLB (0.47) MEN1KMT2A
SCHEMBL23393883 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL1763293 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL13436114 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL1763291 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL1763221 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2
SCHEMBL13363848 0.82 MEN1 (0.50) MEN1KMT2ASLC18A3SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed