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Pempidine

Pempidine

SCHEMBL5050688

CN1C(C)(C)CCCC1(C)C.N

nearest known ligand 0.56

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
Pempidine SCHEMBL4798468 0.97 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL217663 0.97 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL988172 0.93 TSHR (0.56) TSHRNFKB1CYP2C19
Pempidine SCHEMBL27584101 0.93 TSHR (0.56) TSHRNFKB1CYP2C19
Pempidine SCHEMBL28926027 0.88 TSHR (0.58) TSHRNFKB1CYP2C19
SCHEMBL21214213 0.87 TSHR (0.50) TSHRNFKB1CYP2C19
Pempidine SCHEMBL27729769 0.83 TSHR (0.54) TSHRNFKB1CYP2C19
SCHEMBL819484 0.82 TSHR (0.44) TSHRNFKB1CYP2C19
Pempidine SCHEMBL987199 0.81 TSHR (0.69) TSHRNFKB1CYP2C19
Pempidine SCHEMBL986676 0.81 TSHR (0.57) 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
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 — — WO disclosed
WO-2007118474-A2 METHOD FOR THE PRODUCTION OF HYDROGEN-RICH SILANES, AND NOVEL CHEMICAL COMPOUNDS TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2007-10-25 — — WO disclosed