SCHEMBL7280159

SCHEMBL7280159

CCn1cc(C(=O)OC2CCCCN2C)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.57
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
HTR3A P46098 3/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 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
SCHEMBL7117576 0.76 ALDH1A1 (0.67) NR4A2ALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL2049777 0.75 MEN1 (0.60) NR4A2CNR1CNR2KMT2AMEN1
SCHEMBL7271018 0.74 CNR1 (0.57) CNR1CNR2
SCHEMBL1855462 0.74 NR4A2 (1.00) NR4A2ALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL28264481 0.73 NR4A2 (0.76) NR4A2ALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL2090257 0.73 NR4A2 (0.76) NR4A2ALDH1A1SMN1; SMN2CNR1CYP1A2
SCHEMBL7276531 0.72 CNR1 (0.56) ALDH1A1CNR1CNR2KMT2AMEN1
SCHEMBL1019578 0.71 P2RX7 (0.77) NR4A2ALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL2033984 0.70 CNR1 (0.63) CNR1CNR2
SCHEMBL14159256 0.70 NR4A2 (0.71) NR4A2ALDH1A1SMN1; SMN2CNR1CNR2

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-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP disclosed