SCHEMBL7900528

SCHEMBL7900528

N#CNC(=Nc1ccncc1)NCCCCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.54
HRH2 P25021 2/20 0.54
HRH1 P35367 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ASAH1 Q13510 1/20 0.42
P2RX7 Q99572 1/20 0.42
NAMPT P43490 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7902070 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7900515 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7900432 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7900325 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7902060 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7898798 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL7900342 1.00 HRH4 (0.54) HRH4HRH2HRH1SMN1; SMN2TRPV1
SCHEMBL504319 0.90 HRH4 (0.59) HRH4HRH2HRH1P2RX7
SCHEMBL504616 0.87 HRH4 (0.51) HRH4HRH2HRH1P2RX7HRH3
SCHEMBL8919055 0.86 HRH4 (0.40) HRH4HRH2NAMPTHRH3

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-6197797-B1 ANTICANCER AGENTS; SKIN DISORDERS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-03-06 US claimed
US-6197797-B1 ANTICANCER AGENTS; SKIN DISORDERS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-03-06 US disclosed