SCHEMBL8318779

SCHEMBL8318779

CC[Si](CC)(OCCC(C#N)c1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALPG P10696 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6597474 0.84 KMT2A (0.38) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL10468320 0.73 KMT2A (0.43) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL11861977 0.70 CCR1 (0.44) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL6596123 0.70 CCR1 (0.37) CCR1ALDH1A1
SCHEMBL6599554 0.70 GHSR (0.34) CCR1ALDH1A1
SCHEMBL953000 0.69 KMT2A (0.46) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL29061981 0.69 KMT2A (0.46) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL6592377 0.69 PBRM1 (0.39) KMT2ACCR1ALDH1A1LMNASMN1; SMN2
SCHEMBL1311187 0.69 CCR1 (0.43) KMT2ACCR1ALDH1A1LMNAALPG
SCHEMBL11854846 0.68 CCR1 (0.43) KMT2ACCR1ALDH1A1LMNAALPG

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-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed