SCHEMBL8700939

SCHEMBL8700939

c1ccc2[nH]c(CCC3CCNCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
IDO1 P14902 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE10A Q9Y233 1/20 0.50
CHRNA7 P36544 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL5792173 0.92 POLB (0.62) POLBNPC1RAB9ALMNAIDO1
SCHEMBL6757232 0.88 LMNA (0.62) POLBNPC1RAB9ALMNAIDO1
SCHEMBL4110878 0.87 LMNA (0.64) POLBNPC1RAB9ALMNAIDO1
SCHEMBL1299032 0.86 IDO1 (0.67) POLBNPC1RAB9ALMNAIDO1
SCHEMBL9518720 0.83 POLB (0.59) POLBNPC1RAB9ALMNAIDO1
SCHEMBL5742159 0.81 PDE10A (0.57) POLBRAB9APDE10A
SCHEMBL6753966 0.78 POLB (0.64) POLBNPC1RAB9ALMNAIDO1
SCHEMBL6448765 0.77 POLB (0.67) POLBNPC1RAB9ALMNAIDO1
SCHEMBL230157 0.77 POLB (0.84) POLBNPC1RAB9APDE10ACHRM1
SCHEMBL2948984 0.76 POLB (0.65) POLBNPC1RAB9ALMNAIDO1

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
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed