SCHEMBL9615094

SCHEMBL9615094

CCCCCn1c2c(c3ccccc31)CCN(C(C)=O)C2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.57
▸ HDAC6 Q9UBN7 4/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ ENPP2 Q13822 1/20 0.56
▸ MAOA P21397 4/20 0.51
▸ MAOB P27338 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.48

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
SCHEMBL9615095 0.87 PTGDR2 (0.62) PTGDR2HDAC6ENPP2HDAC10
SCHEMBL9615138 0.81 HDAC6 (0.64) PTGDR2HDAC6HDAC1HDAC10
SCHEMBL11755903 0.79 ALDH1A1 (0.52) PTGDR2HDAC6HDAC1MAOAMAOB
SCHEMBL12938917 0.77 HDAC6 (0.78) HDAC6HDAC1ENPP2MAOAMAOB
SCHEMBL17517481 0.76 MAOA (0.79) HDAC6HDAC1MAOAMAOBKDM4E
SCHEMBL17486942 0.76 ENPP2 (0.54) PTGDR2ENPP2
SCHEMBL5373029 0.74 ENPP2 (0.53) PTGDR2HDAC6HDAC1ENPP2KDM4E
SCHEMBL28810472 0.73 HDAC6 (0.71) PTGDR2HDAC6HDAC1ENPP2HDAC10
SCHEMBL1002965 0.73 HDAC6 (0.71) HDAC6HDAC1ENPP2MAOAMAOB
SCHEMBL10122059 0.73 CNR2 (0.51) PTGDR2HDAC6HDAC1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 — — US disclosed
EP-0520987-A4 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO--g(b)-CARBOLINE DERIVATIVES. NEUREX CORP (US) 1992-05-13 — — EP disclosed
US-4978669-A ALTERING MACRONUTRIENT PREFERENCE NEUREX CORPORATION (US) 1990-12-18 — — US disclosed
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