SCHEMBL9757640

SCHEMBL9757640

CCCCCCN(C#N)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.44
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MGLL Q99685 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GBA1 P04062 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
KCNH2 Q12809 3/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL8183287 1.00 DNM1 (0.44) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL5541342 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL9620639 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3295731 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3296101 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL9620474 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL18291050 0.90
SCHEMBL3297653 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL7704071 0.90 DNM1 (0.48) DNM1TSHRTHRBZDHHC20ZDHHC2
SCHEMBL3299577 0.87 DNM1 (0.43) DNM1TSHRTHRBZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992200-A Of silver and gold as complexes of a guanidine compoumd HENKEL CORPORATION (US) 1991-02-12 US disclosed
US-4895597-A ION EXCHANGE WITH GUANIDINE FUNCTIONALITY HENKEL CORPORATION (US) 1990-01-23 US disclosed
US-4814007-A SOLVENT EXTRACTION, GUANIDINE COMPOUND HENKEL CORPORATION (US) 1989-03-21 US disclosed