SCHEMBL21163055

SCHEMBL21163055

CN1C(C)(C)CC(C2CC(C3CC(C)(C)N(C)C(C)(C)C3)CC(C3CC(C)(C)N(C)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24586005 0.91 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL21163049 0.87
SCHEMBL13559120 0.86 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL14372113 0.79 GAA (0.44) TSHRNFKB1CYP2C19
SCHEMBL21163227 0.77
SCHEMBL82179 0.77
SCHEMBL21163217 0.75
SCHEMBL21163314 0.70
SCHEMBL10681755 0.70 GAA (0.31) TSHRNFKB1CYP2C19
SCHEMBL12533300 0.70 TSHR (0.30) TSHRNFKB1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 US disclosed
US-20190194542-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-06-27 US disclosed