SCHEMBL9516680

SCHEMBL9516680

Nc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KCNH2 Q12809 1/20 0.68
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
SIGMAR1 Q99720 5/20 0.56
HRH4 Q9H3N8 1/20 0.54
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD11B1 P28845 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL9320609 0.90 THRB (0.56) MEN1KMT2AKCNH2POLBGAA
Hydrochloric Acid SCHEMBL9515573 0.89 THRB (0.55) MEN1KMT2AKCNH2POLBGAA
SCHEMBL30089493 0.83 MEN1 (0.63) MEN1KMT2AKCNH2POLBGAA
SCHEMBL10663590 0.82 CA12 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2HSD11B1
SCHEMBL9426415 0.81 MEN1 (1.00) MEN1KMT2AKCNH2POLBGAA
SCHEMBL17444686 0.81 MEN1 (0.81) MEN1KMT2AKCNH2POLBGAA
SCHEMBL9321172 0.80 THRB (0.54) MEN1KMT2AKCNH2POLBGAA
SCHEMBL5524549 0.79 MEN1 (0.69) MEN1KMT2AKCNH2POLBGAA
SCHEMBL2927709 0.79 MEN1 (0.73) MEN1KMT2AKCNH2POLBGAA
SCHEMBL27552111 0.79 MEN1 (0.73) MEN1KMT2AKCNH2POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP claimed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 EP claimed
EP-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP disclosed
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 US disclosed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 EP disclosed