SCHEMBL18154550

SCHEMBL18154550

O=C(O)N1CCc2cc3cc(Br)ccc3n2CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
SIGMAR1 Q99720 10/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
BAZ2B Q9UIF8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL26683906 0.87 SIGMAR1 (0.47) MCL1SIGMAR1
SCHEMBL18154570 0.81 BACE1 (0.43) SIGMAR1NPC1RAB9ALMNAMAPT
SCHEMBL20022865 0.77 HTR2A (0.65) MCL1SIGMAR1HTR2AHTR2CMAPT
SCHEMBL26683837 0.76 SIGMAR1 (0.46) SIGMAR1
SCHEMBL5229747 0.76 HTR2A (0.39) MCL1HTR2AHTR2CNPC1RAB9A
SCHEMBL20022863 0.74 HTR2A (0.40) MCL1SIGMAR1HTR2AHTR2C
SCHEMBL6712407 0.74 SIGMAR1 (0.40) SIGMAR1HTR2AHTR2CNPC1RAB9A
SCHEMBL31573855 0.73 HTR2A (0.42) MCL1SIGMAR1HTR2AHTR2CHRH3
SCHEMBL21981723 0.71 MCL1 (0.39) MCL1SIGMAR1NPC1RAB9ALMNA
SCHEMBL23725782 0.70 HTR2A (0.50) SIGMAR1HTR2AHTR2C

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
EP-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 WO disclosed