SCHEMBL8701879

SCHEMBL8701879

CC(C1CC(CCCc2ccccc2)CCN1)n1cncn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC18A3 Q16572 1/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ACHE P22303 1/20 0.34
CCR5 P51681 1/20 0.33

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 SCHEMBL8701141 0.99 ALDH1A1 (0.36) ALDH1A1MEN1LMNAKMT2ASLC18A3
SCHEMBL8698745 0.81 CYP24A1 (0.37)
SCHEMBL8701883 0.74 CYP19A1 (0.40) ALDH1A1MEN1LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL8701149 0.74 CYP19A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL8698749 0.66 HMOX1 (0.41) ALDH1A1MAPT
SCHEMBL8539485 0.65 HRH3 (0.51) SLC18A3HRH3
Hydrochloric Acid SCHEMBL8541843 0.65 HRH3 (0.50) HRH3
SCHEMBL82734 0.64 GBA1 (0.61) SLC18A3HRH3
SCHEMBL25758219 0.64 SLC18A3 (0.55) MEN1LMNAKMT2ASLC18A3MAPT
Hydrochloric Acid SCHEMBL7669421 0.63 GBA1 (0.59) SLC18A3HRH3

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