SCHEMBL29284653

SCHEMBL29284653

CCN(C(=O)c1cnn(C(C)C(C)SC)c1C(F)(F)F)c1ccnnc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ MLYCD O95822 2/20 0.32
▸ OXTR P30559 2/20 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
SCHEMBL29284689 0.90 — —
SCHEMBL29284667 0.86 OXTR (0.39) NPSR1KDM4EALDH1A1POLBCYP3A4
SCHEMBL29284685 0.85 CYP3A4 (0.34) CYP3A4CYP2C9CYP2B6CYP2C19OXTR
SCHEMBL29284669 0.78 OXTR (0.33) OXTR
SCHEMBL16973459 0.78 OXTR (0.40) NPSR1KDM4EALDH1A1POLBCYP3A4
SCHEMBL29284676 0.77 OXTR (0.32) ALDH1A1OXTR
SCHEMBL29284681 0.77 — —
SCHEMBL29284679 0.77 — —
SCHEMBL15472436 0.76 OXTR (0.40) NPSR1KDM4EALDH1A1POLBCYP3A4
SCHEMBL15472432 0.75 OXTR (0.41) NPSR1KDM4EALDH1A1POLBCYP3A4

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
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN claimed
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN disclosed
Send feedback