SCHEMBL30859503

SCHEMBL30859503

[2H]c1cc(C(F)(F)F)ccc1C1COCCN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ TACR1 P25103 3/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 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
SCHEMBL17525131 0.90 HTR2C (0.45) HTR2CL3MBTL1PRKACAPRKACGPRKACB
SCHEMBL17524747 0.90 HTR2C (0.45) HTR2CL3MBTL1PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL29236437 0.88 HTR2C (0.46) HTR2CL3MBTL1PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL29236436 0.88 HTR2C (0.46) HTR2CL3MBTL1PRKACAPRKACGPRKACB
SCHEMBL24540994 0.81 HTR2C (0.42) HTR2CL3MBTL1KDM1APARP1PARP2
SCHEMBL24541088 0.78 PRKACA (0.37) HTR2CL3MBTL1PRKACAPRKACGPRKACB
SCHEMBL26084665 0.75 HTR1A (0.51) HTR2CPRKACAPRKACGPRKACBKDM1A
SCHEMBL26084666 0.75 HTR1A (0.51) HTR2CPRKACAPRKACGPRKACBKDM1A
SCHEMBL19580707 0.74 NISCH (0.40) HTR2CL3MBTL1PRKACAPRKACGPRKACB
SCHEMBL19580550 0.74 NISCH (0.40) HTR2CL3MBTL1PRKACAPRKACGPRKACB

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
CN-117897379-A Process for the synthesis of naphthyridine derivatives and intermediates thereof 美国安进公司 2024-04-16 — — CN disclosed
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