SCHEMBL17067967

SCHEMBL17067967

CCC(C)N1CC2CCC(C1)N2C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HRH3 Q9Y5N1 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL20070650 0.86 LMNA (0.30) LMNACYP2C9
SCHEMBL20937109 0.86 LMNA (0.37) LMNACYP2C9
SCHEMBL23283026 0.83 HRH3 (0.33) HRH3
SCHEMBL22308026 0.80 LMNA (0.33) LMNACYP2C9
SCHEMBL10284003 0.79 LMNA (0.36) LMNACYP2C9
SCHEMBL19369446 0.77 ACHE (0.34)
SCHEMBL7696092 0.75 LMNA (0.40) LMNACYP2C9
SCHEMBL25084165 0.75 LMNA (0.40) LMNACYP2C9
SCHEMBL23365960 0.75 LMNA (0.40) LMNACYP2C9
SCHEMBL20970590 0.75 ALDH1A1 (0.33)

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-2021026451-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2021-02-11 WO disclosed
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed