SCHEMBL9033105

SCHEMBL9033105

CCCCC(O)(CCC)N(c1ccnc(C)c1OC)C1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.31
CRHR1 P34998 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL8705292 0.79 TSHR (0.35) TRPM8CRHR1MEN1KMT2AALDH1A1
SCHEMBL8417992 0.78 JAK2 (0.36) TRPM8CRHR1MEN1KMT2AALDH1A1
SCHEMBL9035643 0.76 ALDH1A1 (0.33) TRPM8MEN1KMT2AALDH1A1
SCHEMBL9034137 0.73 JAK2 (0.39) TRPM8CRHR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8708616 0.72 MAOA (0.40) TRPM8CRHR1MEN1KMT2AALDH1A1
SCHEMBL8416637 0.72 MEN1 (0.36) TRPM8MEN1KMT2AALDH1A1
SCHEMBL8705045 0.70 MEN1 (0.35) TRPM8MEN1KMT2AALDH1A1
SCHEMBL9033574 0.70 NPC1 (0.42) TRPM8MEN1KMT2AALDH1A1
SCHEMBL9033513 0.69 KCNA3 (0.41) TRPM8MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8704982 0.69 KCNA3 (0.40) TRPM8MEN1KMT2AALDH1A1

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
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed