SCHEMBL29548554

SCHEMBL29548554

Oc1ccn2ncc([C@H]3CC[C@H](c4ccn(C5CCCCO5)n4)CC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.35
▸ CYP4A11 Q02928 3/20 0.35
▸ CD274 Q9NZQ7 1/20 0.34
▸ RET P07949 3/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ IDH1 O75874 1/20 0.30
▸ ATR Q13535 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
SCHEMBL29548233 0.84 CAMKK1 (0.36) CD274RETCAMKK1CAMKK2
SCHEMBL29548387 0.82 CYP4F2 (0.41) CYP4F2CYP4A11ATR
SCHEMBL26114225 0.80 CD274 (0.42) CYP4F2CYP4A11CD274RETIDH1
SCHEMBL29548356 0.73 PIK3CA (0.32) CAMKK1CAMKK2
SCHEMBL31510673 0.71 CD274 (0.39) CYP4F2CYP4A11CD274RETIDH1
SCHEMBL27380210 0.69 CD274 (0.37) CYP4F2CYP4A11CD274RETIDH1
SCHEMBL29548522 0.69 ALDH1A1 (0.33) CAMKK1CAMKK2
SCHEMBL27277685 0.68 CD274 (0.47) CYP4F2CYP4A11CD274IDH1
SCHEMBL15465167 0.66 CD274 (0.40) CYP4F2CYP4A11CD274IDH1
SCHEMBL15464745 0.66 CD274 (0.40) CYP4F2CYP4A11CD274IDH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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