SCHEMBL9329144

SCHEMBL9329144

CO[C@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL9329146 1.00 CNR1 (0.42) CNR1CNR2ITGA4ITGB7KMT2A
SCHEMBL9329153 1.00 CNR1 (0.42) CNR1CNR2ITGA4ITGB7KMT2A
SCHEMBL5349503 0.77 MAPT (0.43) CNR1CNR2KMT2AMEN1MAPT
SCHEMBL9328997 0.73 CHRM2 (0.47) CNR2ITGA4ITGB7KMT2ASMN1; SMN2
SCHEMBL9219191 0.73 CHRM2 (0.47) CNR2ITGA4ITGB7KMT2ASMN1; SMN2
SCHEMBL9219188 0.73 CHRM2 (0.47) CNR2ITGA4ITGB7KMT2ASMN1; SMN2
SCHEMBL9329061 0.72 MAPT (0.40) ITGA4ITGB7KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9398875 0.72 MAPT (0.41) ITGA4ITGB7KMT2AMEN1MAPT
SCHEMBL14317672 0.70 CYP1A2 (0.47) ITGA4ITGB7SMN1; SMN2ALDH1A1NPC1
SCHEMBL9520568 0.69 SLC6A3 (0.41) CNR1CNR2ITGA4ITGB7KMT2A

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-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP disclosed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed
EP-0377532-B1 THIOFORMAMIDE DERIVATIVES MAY AND BAKER LIMITED (GB) 1992-07-29 EP disclosed
US-5104883-A Cardiovascular, respiratory, gastrointestirol, urogenital disorders; baldness; premature labor MAY & BAKER LIMITED (GB) 1992-04-14 US disclosed
EP-0390693-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-10-03 EP disclosed