SCHEMBL8538197

SCHEMBL8538197

CCCN(c1cc(Cl)ncn1)n1cccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.61
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 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
SCHEMBL9445603 0.76 SLC6A2 (1.00) SLC6A2
SCHEMBL8537152 0.76 SLC6A2 (0.41) SLC6A2NPC1
SCHEMBL8544089 0.74 SLC6A2 (0.61) SLC6A2
SCHEMBL9445607 0.72 SLC6A2 (0.65) SLC6A2
SCHEMBL5883439 0.66 POLB (0.46) SLC6A2NPC1STK4STK3
SCHEMBL937306 0.65 NPC1 (0.44) SLC6A2JAK2NPC1
SCHEMBL4874968 0.64 LRRK2 (0.42) SLC6A2NPC1S1PR1
SCHEMBL9193680 0.63 SLC6A2 (0.41) SLC6A2NPC1STK4STK3
SCHEMBL6361421 0.62 ABCB1 (0.45) SLC6A2NPC1
SCHEMBL7609760 0.62 SLC6A2 (0.59) SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417584-B1 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-02-04 EP claimed
US-4983608-A Analgesics, cognition activators HOECHST-ROUSSELL PHARMACEUTICALS, INC. (US) 1991-01-08 US claimed
EP-0417584-B1 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-02-04 EP disclosed
US-5179204-A Learning enhancement, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-12 US disclosed
EP-0417584-A2 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4983608-A Analgesics, cognition activators HOECHST-ROUSSELL PHARMACEUTICALS, INC. (US) 1991-01-08 US disclosed