SCHEMBL9740299

SCHEMBL9740299

O=C(NC1CCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35
SLC33A1 O00400 2/20 0.35
TSHR P16473 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
SPR P35270 1/20 0.34

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
SCHEMBL9738648 1.00 RIPK1 (0.42) RIPK1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL9739920 0.92 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738150 0.90 RIPK1 (0.39) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738537 0.89 RIPK1 (0.42) RIPK1ALDH1A1SLC33A1KCNJ6KCNJ5
SCHEMBL9738242 0.89 RIPK1 (0.40) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9739551 0.89 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738441 0.88 RIPK1 (0.39) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9553434 0.87 RIPK1 (0.37) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738503 0.87 TRPV1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9552858 0.87 SLC33A1 (0.39) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3

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-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed