SCHEMBL28065007

SCHEMBL28065007

CC(C)(C)C(=O)OCC1CCNC(c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
RIPK1 Q13546 2/20 0.37
NPC1 O15118 1/20 0.35
KDM1A O60341 3/20 0.35
MAOA P21397 3/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CHRNA7 P36544 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28828167 0.78 RIPK1 (0.40) CHRM3CHRM2CHRM1RIPK1
SCHEMBL27722903 0.78 RIPK1 (0.40) RIPK1NPC1MAPTPKMLMNA
SCHEMBL27869789 0.76 SLC6A1 (0.42) KDM1AMAOAMAPTCHRNA7
Tert-Butyl Formate SCHEMBL28065009 0.74 KDM1A (0.34) CHRM3CHRM2CHRM1RIPK1KDM1A
SCHEMBL24363923 0.73 CHRNA7 (0.46) KDM1AMAOACHRNA7LMNA
SCHEMBL16400486 0.73 KDM1A (0.42) KDM1AMAOACHRNA7
SCHEMBL3438950 0.73 CHRNA7 (0.46) KDM1AMAOACHRNA7LMNA
SCHEMBL2707339 0.73 KDM1A (0.42) KDM1AMAOACHRNA7
SCHEMBL29477503 0.73 CHRNA7 (0.46) KDM1AMAOACHRNA7LMNA
SCHEMBL30661773 0.73 KDM1A (0.39) KDM1AMAOAMAPTCHRNA7

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
CN-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 CN disclosed