SCHEMBL9329013

SCHEMBL9329013

O=C1CCCCC1c1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PSMB5 P28074 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MGAM O43451 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR1 Q9BXC0 2/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FAAH O00519 2/20 0.37

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
SCHEMBL4137088 0.77 MAPT (0.46) SLC6A4CYP1A2
SCHEMBL30479180 0.77 MAPT (0.46) SLC6A4CYP1A2
SCHEMBL3088721 0.77 PSMB5 (0.61) SLC6A4PSMB5CYP1A2NPC1RAB9A
SCHEMBL9330196 0.77 SLC6A4 (0.45) SLC6A4HCRTR1HCRTR2PSMB5CYP1A2
SCHEMBL9330190 0.77 SLC6A4 (0.45) SLC6A4HCRTR1HCRTR2PSMB5CYP1A2
SCHEMBL4124861 0.77 KDM4E (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HCAR1
SCHEMBL4286233 0.76 MAPT (0.44) SLC6A4CYP1A2FAAH
SCHEMBL10586846 0.76 SLC6A4 (0.37) SLC6A4HCRTR1HCRTR2PSMB5NPC1
SCHEMBL10586849 0.76 SLC6A4 (0.37) SLC6A4HCRTR1HCRTR2PSMB5NPC1
SCHEMBL22288210 0.75 PSMB5 (0.64) SLC6A4PSMB5CYP1A2NPC1RAB9A

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 9 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
US-5246950-A Smooth muscle disorders RHONE-POULENC SANTE (FR) 1993-09-21 US disclosed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed
US-5151436-A Compounds for inhibiting hair loss in men RHONE-POULENC SANTE (FR) 1992-09-29 US 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
EP-0377532-A1 Thioformamide derivatives MAY AND BAKER LIMITED (GB) 1990-07-11 EP disclosed
EP-0321274-A1 Derivatives of thioformamide RHONE POULENC RORER LIMITED (GB) 1989-06-21 EP disclosed