SCHEMBL9328852

SCHEMBL9328852

COC[C@@H]1CCCN1N=C1CCCCC1c1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB1 P11230 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNB3 Q05901 3/20 0.41
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC6A4 P31645 1/20 0.35
PSMB5 P28074 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ABCB1 P08183 1/20 0.32

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
SCHEMBL9656452 1.00 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9656446 1.00 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9328846 1.00 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9656460 1.00 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9492862 0.79 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9490227 0.79 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9490122 0.79 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9491388 0.79 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL9655993 0.79 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNB1CHRNB4
SCHEMBL10586849 0.78 SLC6A4 (0.37) CHRNB2CHRNA4HCRTR1HCRTR2RAB9A

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-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP disclosed
US-5151436-A Compounds for inhibiting hair loss in men RHONE-POULENC SANTE (FR) 1992-09-29 US disclosed
EP-0321274-A1 Derivatives of thioformamide RHONE POULENC RORER LIMITED (GB) 1989-06-21 EP disclosed