SCHEMBL31177155

SCHEMBL31177155

Cc1ccc(C(=O)NCCc2c[nH]c3cc(F)cc(F)c23)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.66
▸ PTGS1 P23219 5/20 0.66
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SIRT1 Q96EB6 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ GFER P55789 1/20 0.43

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
SCHEMBL31177151 0.88 PTGS2 (0.72) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177158 0.85 PTGS2 (0.74) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177148 0.82 PTGS2 (0.77) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177169 0.81 PTGS2 (0.83) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177170 0.81 PTGS2 (0.74) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177160 0.80 PTGS1 (0.85) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL28890985 0.79 PTGS2 (1.00) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177172 0.79 PTGS1 (0.72) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL31177164 0.79 PTGS2 (0.72) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL25295069 0.78 MTNR1A (0.61) RAB9AMEN1KMT2AMTNR1AMTNR1B

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-118791419-A N-acetyltryptamine compound, composition and application 南华大学 2024-10-18 — — CN disclosed
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