SCHEMBL9309916

SCHEMBL9309916

CNC(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.84
SMN1; SMN2 Q16637 1/20 0.84
EPHX2 P34913 1/20 0.66
PTPN2 P17706 1/20 0.66
PTPN1 P18031 1/20 0.66
ACHE P22303 4/20 0.64
BACE1 P56817 3/20 0.62
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
EPHX1 P07099 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MGLL Q99685 1/20 0.57
HSD11B1 P28845 1/20 0.57

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
SCHEMBL14817987 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2EPHX2LMNAPOLB
SCHEMBL2831686 0.84 EPHX2 (0.66) ALDH1A1SMN1; SMN2EPHX2PTPN2PTPN1
SCHEMBL2757942 0.84 LMNA (0.85) ALDH1A1SMN1; SMN2EPHX2PTPN2PTPN1
SCHEMBL10759312 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2EPHX2PTPN2PTPN1
SCHEMBL10197837 0.83 NPC1 (0.69) ALDH1A1SMN1; SMN2LMNAPOLBMGLL
SCHEMBL23086155 0.83 PTPN1 (0.86) ALDH1A1EPHX2PTPN2PTPN1ACHE
SCHEMBL12060563 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2EPHX2LMNAPOLB
SCHEMBL3614803 0.82 ACHE (0.70) ALDH1A1SMN1; SMN2EPHX2PTPN2PTPN1
SCHEMBL1673861 0.82 MAPT (0.73) SMN1; SMN2EPHX2PTPN2PTPN1ACHE
SCHEMBL2835506 0.81 TSHR (0.68) ALDH1A1SMN1; SMN2EPHX2PTPN2PTPN1

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-5298503-A Cardiovascular ADIR ET COMPAGNIE (FR) 1994-03-29 US disclosed