SCHEMBL8696472

SCHEMBL8696472

CC(C1CN(CCCc2ccccc2)CCN1)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP24A1 Q07973 1/20 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
SCHEMBL8698745 0.77 CYP24A1 (0.37) CYP24A1
SCHEMBL8696473 0.74 SIGMAR1 (0.46) SIGMAR1MAPT
SCHEMBL8698574 0.73 CYP17A1 (0.41) SIGMAR1
SCHEMBL11789646 0.73 SIGMAR1 (0.62) SIGMAR1
Hydrochloric Acid SCHEMBL8698582 0.72 CYP17A1 (0.41) SIGMAR1
SCHEMBL8699418 0.72 KDM4E (0.43) SIGMAR1KMT2A
SCHEMBL8695800 0.71 SIGMAR1 (0.41) SIGMAR1HRH3CYP24A1
SCHEMBL8698467 0.70 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8545945 0.70 HMOX1 (0.41) SIGMAR1MAPT
SCHEMBL726958 0.70 SLC6A4 (0.55) SIGMAR1MEN1LMNAMAPTKMT2A

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