SCHEMBL8212966

SCHEMBL8212966

O=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
RORC P51449 2/20 0.47
CHRNA7 P36544 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43
GRM5 P41594 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42

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 SCHEMBL8205786 0.99 TP53 (0.47) TP53RORCCHRNA7CNR1CNR2
SCHEMBL8213939 0.87 NPC1 (0.57) RORCCHRNA7CNR1CNR2SMN1; SMN2
Hydrochloric Acid SCHEMBL8213598 0.86 NPC1 (0.56) RORCCHRNA7CNR1CNR2SMN1; SMN2
SCHEMBL8206309 0.84 MAPT (0.50) TP53RORCCHRNA7CNR1CNR2
SCHEMBL8218668 0.84 NPC1 (0.59) TP53CHRNA7SMN1; SMN2MAPT
SCHEMBL8214395 0.84 SMN1; SMN2 (0.51) TP53RORCCHRNA7CNR1CNR2
Hydrochloric Acid SCHEMBL8212735 0.83 SMN1; SMN2 (0.50) TP53RORCCHRNA7CNR1CNR2
Hydrochloric Acid SCHEMBL8214647 0.83 MAPT (0.49) TP53RORCCHRNA7CNR1CNR2
SCHEMBL8216078 0.83 MEN1 (0.60) SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL8216489 0.83 NPC1 (0.58) TP53CHRNA7SMN1; SMN2MAPT

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

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