SCHEMBL7826410

SCHEMBL7826410

N#Cc1c(-c2c(CCCN)[nH]c3ccccc23)[nH]c(=O)n1-c1csc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.33
PDE9A O76083 3/20 0.32
KISS1R Q969F8 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
PDE1C Q14123 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
SCHEMBL8126093 0.84 KISS1R (0.33) CAMK2DKISS1RSSTR1SSTR2SSTR4
SCHEMBL7821934 0.81 PDE9A (0.33) CAMK2DPDE9ASSTR2SSTR4PDE1C
Acetic Acid SCHEMBL7571740 0.81 MC4R (0.33) CAMK2DKISS1RSSTR1SSTR2SSTR4
SCHEMBL7819614 0.78 MPO (0.36) CAMK2DPDE9APDE1C
SCHEMBL7822940 0.78 CAMK2D (0.38) CAMK2DPDE9APDE1C
Acetic Acid SCHEMBL7840658 0.77 NPEPPS (0.33) CAMK2DPDE9APDE1C
SCHEMBL7812544 0.77 NPEPPS (0.38) CAMK2DPDE9APDE1C
SCHEMBL7827359 0.77 CAMK2D (0.40) CAMK2DPDE9APDE1C
SCHEMBL7821885 0.76 NTRK1 (0.39) CAMK2DPDE9A
SCHEMBL7819968 0.76 KMT2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed