SCHEMBL9435486

SCHEMBL9435486

N#C[C@]1(c2ccccc2)CC[C@H](N2CCN(CC(O)COc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.52
DRD4 P21917 4/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
TSHR P16473 2/20 0.51
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RRM1 P23921 1/20 0.49
CHRNA7 P36544 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL9435493 1.00 L3MBTL1 (0.56) L3MBTL1KDM4EDRD4DRD2DRD3
SCHEMBL9098357 0.93 TSHR (0.52) L3MBTL1TSHRCYP2D6MEN1KMT2A
SCHEMBL9098366 0.93 TSHR (0.52) L3MBTL1TSHRCYP2D6MEN1KMT2A
SCHEMBL9098349 0.93 TSHR (0.52) L3MBTL1TSHRCYP2D6MEN1KMT2A
SCHEMBL9435297 0.91 MAPT (0.52) L3MBTL1KDM4EDRD4DRD2DRD3
SCHEMBL9435300 0.91 MAPT (0.52) L3MBTL1KDM4EDRD4DRD2DRD3
SCHEMBL9435672 0.90 MAPT (0.59)
SCHEMBL9435669 0.90 MAPT (0.59)
SCHEMBL9435307 0.90 DRD4 (0.58) L3MBTL1DRD4DRD2DRD3TSHR
SCHEMBL9435302 0.90 DRD4 (0.58) L3MBTL1DRD4DRD2DRD3TSHR

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
US-5371088-A 1-aryl-4-piperazinylcyclohexanecarbonitriles, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed