SCHEMBL8699387

SCHEMBL8699387

CC(C)c1nccn1C(C)C1CCCCN1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8701669 0.88 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8699122 0.87 SIGMAR1 (0.38) SIGMAR1ALDH1A1
SCHEMBL8699585 0.87 SIGMAR1 (0.38) SIGMAR1ALDH1A1TSHR
SCHEMBL8695264 0.80 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8698574 0.80 CYP17A1 (0.41) SIGMAR1
Hydrochloric Acid SCHEMBL8698582 0.79 CYP17A1 (0.41) SIGMAR1
SCHEMBL8699391 0.78 SLC18A2 (0.41)
SCHEMBL8698785 0.78 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8699167 0.78 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8696215 0.78 SIGMAR1 (0.38) SIGMAR1TSHR

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