SCHEMBL7978013

SCHEMBL7978013

COC(CNCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.46
KCNH2 Q12809 2/20 0.41
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
KCNN4 O15554 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL13171315 0.80 KIF11 (0.50) KIF11KCNH2TAAR1SMN1; SMN2CYP3A4
SCHEMBL11784733 0.80 KIF11 (0.46) KIF11KCNH2LMNATAAR1SMN1; SMN2
SCHEMBL12637139 0.76 KIF11 (0.53) KIF11KCNH2TAAR1KCNN4
SCHEMBL2065992 0.75 TAAR1 (0.52) KIF11KCNH2LMNATAAR1SMN1; SMN2
SCHEMBL10805592 0.73 KIF11 (0.50) KIF11LMNATAAR1KCNN4
SCHEMBL17537036 0.71 KIF11 (0.57) KIF11LMNATAAR1KCNN4
SCHEMBL20357549 0.70 KIF11 (0.56) KIF11KCNH2TAAR1SMN1; SMN2KCNN4
SCHEMBL8352929 0.70 KIF11 (0.43) KIF11TAAR1
SCHEMBL6470484 0.69 LMNA (0.50) LMNATAAR1KCNN4
SCHEMBL11808675 0.68 KIF11 (0.46) KIF11KCNH2TAAR1SMN1; SMN2KCNN4

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-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed