SCHEMBL10463076

SCHEMBL10463076

CC(C)C1(C(N)=O)CNCCN1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.38
▸ SOS2 Q07890 1/20 0.38
▸ CHRM5 P08912 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL27901104 0.81 — —
SCHEMBL28147542 0.73 SOS1 (0.41) SOS1SOS2KDM4EKMT2A
SCHEMBL27350514 0.67 SOS1 (0.47) SOS1SOS2
SCHEMBL27901103 0.67 CHRM5 (0.31) CHRM5CHRM3KDM4EKMT2A
Hydrochloric Acid SCHEMBL4591290 0.66 CHRM5 (0.30) CHRM5CHRM3KDM4EKMT2A
Methylpiperazine SCHEMBL28887896 0.64 CA2 (0.41) CHRM5CHRM3KDM4EKMT2A
SCHEMBL13735001 0.63 CHRM5 (0.31) CHRM5CHRM3
SCHEMBL16825004 0.63 SOS1 (0.42) SOS1SOS2
SCHEMBL1120435 0.61 — —
SCHEMBL2804034 0.61 — —

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-4940793-A Pharmacologically active piperazino derivatives RAVIZZA S.P.A. (IT) 1990-07-10 — — US disclosed
EP-0171636-A1 Pharmacologically active piperazino derivatives and the process for their preparation RAVIZZA S.p.A. (IT) 1986-02-19 — — EP disclosed
Send feedback