SCHEMBL9011499

SCHEMBL9011499

C[CH]N1C(C)(C)CCCC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5519734 0.74 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL10812173 0.74 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL9860220 0.70 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL5081781 0.67
Pempidine SCHEMBL217663 0.65 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL4798468 0.65 TSHR (0.58) TSHRNFKB1CYP2C19
SCHEMBL11453005 0.65 TSHR (0.36) TSHRNFKB1CYP2C19
SCHEMBL15698088 0.63 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL18798641 0.63 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL5441085 0.63 TSHR (0.34) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457331-B1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA (JP) 1996-11-20 EP claimed
US-5185347-A PIPERIDINE COMPOUNDS AND ANTIULCER COMPOSITION CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-09 US claimed
EP-0457331-A1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-11-21 EP claimed
US-4104380-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-08-01 US claimed
US-4076937-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-02-28 US claimed
JP-4021679-A None JP disclosed
EP-0457331-B1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA (JP) 1996-11-20 EP disclosed
US-5185347-A PIPERIDINE COMPOUNDS AND ANTIULCER COMPOSITION CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-09 US disclosed
US-5185347-A PIPERIDINE COMPOUNDS AND ANTIULCER COMPOSITION CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-09 US disclosed
JP-H0421679-A PIPERIDINE DERIVATIVE AND ANTIULCER AGENT WITH THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 1992-01-24 JP disclosed
EP-0457331-A1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-11-21 EP disclosed
EP-0457331-A1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-11-21 EP disclosed