SCHEMBL8206314

SCHEMBL8206314

Cc1ccsc1NC(=O)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CHRNA7 P36544 1/20 0.40
POLB P06746 2/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 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
Hydrochloric Acid SCHEMBL8214654 0.99 CNR1 (0.44) CNR1CNR2CHRNA7POLBRORC
SCHEMBL8131789 0.78 POLB (0.47) POLBNPC1RAB9A
SCHEMBL8212966 0.77 TP53 (0.48) CNR1CNR2CHRNA7RORC
SCHEMBL8213939 0.77 NPC1 (0.57) CNR1CNR2CHRNA7RORCNPC1
SCHEMBL7555526 0.77 CNR1 (0.51) CNR1CNR2CHRNA7RORC
SCHEMBL8218668 0.77 NPC1 (0.59) CHRNA7POLBNPC1RAB9A
SCHEMBL8206309 0.77 MAPT (0.50) CNR1CNR2CHRNA7POLBRORC
SCHEMBL8214395 0.77 SMN1; SMN2 (0.51) CNR1CNR2CHRNA7RORCNPC1
Hydrochloric Acid SCHEMBL8205786 0.76 TP53 (0.47) CNR1CNR2CHRNA7RORC
Hydrochloric Acid SCHEMBL8213598 0.76 NPC1 (0.56) CNR1CNR2CHRNA7RORCNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008022-A1 UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO claimed
WO-2000008022-A1 UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed