SCHEMBL8699167

SCHEMBL8699167

Cc1cncn1C(C)C1CCCCN1CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL8695264 0.83 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8701669 0.81 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8698785 0.81 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8698574 0.81 CYP17A1 (0.41) SIGMAR1
Hydrochloric Acid SCHEMBL8698582 0.80 CYP17A1 (0.41) SIGMAR1
SCHEMBL8699585 0.79 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8699122 0.79 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8696215 0.78 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8696491 0.78 NPC1 (0.46) SIGMAR1
SCHEMBL8699387 0.78 SIGMAR1 (0.39) SIGMAR1

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