SCHEMBL9514285

SCHEMBL9514285

COc1ccc(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
F10 P00742 1/20 0.60
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.57
CYP2C19 P33261 1/20 0.57
DRD3 P35462 1/20 0.55
DRD2 P14416 1/20 0.55

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
SCHEMBL9513195 0.90 DRD2 (0.69) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL9513235 0.89 KMT2A (0.67) KMT2AMEN1F10GAAKDM4E
SCHEMBL31178415 0.88 KMT2A (0.83) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL9512949 0.88 KMT2A (0.83) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL25242104 0.84 KMT2A (0.77) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL31178346 0.84 KMT2A (0.77) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL9513154 0.84 MEN1 (0.68) KMT2AMEN1
SCHEMBL9514579 0.83 ALDH1A1 (0.67) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL25286763 0.82 KMT2A (0.96) KMT2AMEN1GAAKDM4ESMN1; SMN2
SCHEMBL31178374 0.82 KMT2A (0.96) KMT2AMEN1GAAKDM4ESMN1; SMN2

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 3 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
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 US disclosed