SCHEMBL10803089

SCHEMBL10803089

CCCN1CCc2c(c(-c3cccs3)nn2CC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.43
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL10801105 0.80 HTR1A (0.49) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL10804776 0.75 ADORA1 (0.45) ADORA1
SCHEMBL10805574 0.74 CHRM2 (0.46) DRD3ALDH1A1KMT2ATSHR
SCHEMBL10814900 0.69 HTR5A (0.51) —
SCHEMBL10800532 0.68 KCNK3 (0.55) —
SCHEMBL10805153 0.67 KCNK3 (0.63) —
SCHEMBL10805276 0.66 KCNK3 (0.47) —
SCHEMBL10799748 0.64 PTGS1 (0.48) —
SCHEMBL10805672 0.63 CREBBP (0.49) —
SCHEMBL2076701 0.62 HTR7 (0.56) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086422-B1 PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1987-09-30 — — EP disclosed
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