SCHEMBL11548641

SCHEMBL11548641

Cc1nccnc1OCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 3/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AKT1 P31749 3/20 0.33
DYRK3 O43781 2/20 0.33
ROCK2 O75116 2/20 0.33
RPS6KA5 O75582 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
PIM1 P11309 2/20 0.33
PHKG2 P15735 2/20 0.33
PRKACA P17612 2/20 0.33
CLK2 P49760 2/20 0.33
PRKX P51817 2/20 0.33
PRKG2 Q13237 2/20 0.33
ROCK1 Q13464 2/20 0.33
DYRK1A Q13627 2/20 0.33

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
SCHEMBL2490706 0.75 HPGD (0.45) SSTR4SMN1; SMN2
SCHEMBL19416375 0.74 TSHR (0.35) PRKCDPRKCHPRKCEPRKCQTAAR1
SCHEMBL17171588 0.74 NOS3 (0.45) PRKCDPRKCHPRKCEPRKCQTAAR1
SCHEMBL3528380 0.69 KDM4E (0.55) TAAR1KDM4EMAP4K4P2RX7MAPK1
SCHEMBL422296 0.69
SCHEMBL26050671 0.68 KMT2A (0.44) TSHRSMN1; SMN2
SCHEMBL28080959 0.68 SSTR4 (0.40) KDM4ESSTR4
SCHEMBL19732855 0.67 KDM4E (0.47) TAAR1KDM4ESSTR4MAPK1SMN1; SMN2
SCHEMBL11550393 0.64 CYP1A2 (0.46) KDM4ETSHRMAPK1
SCHEMBL1623962 0.64 TAAR1 (0.60) PRKCDPRKCHPRKCEPRKCQTAAR1

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-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed