SCHEMBL11102472

SCHEMBL11102472

C1CSc2c(nc(N3CCNCC3)nc2N2CCOCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GUSB P08236 1/20 0.38
▸ PIK3R1 P27986 3/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL11101128 1.00 HTR2C (0.49) HTR2CKDM4EALDH1A1HPGDHTR2A
Fumaric Acid SCHEMBL11106117 0.90 HTR2C (0.42) HTR2CKDM4EALDH1A1HPGDHTR2A
Maleic Acid SCHEMBL11106110 0.90 HTR2C (0.42) HTR2CKDM4EALDH1A1HPGDHTR2A
SCHEMBL11106652 0.90 HRH1 (0.51) HTR2CKDM4EALDH1A1HPGDHTR2A
SCHEMBL11104195 0.90 HRH1 (0.51) HTR2CKDM4EALDH1A1HPGDHTR2A
SCHEMBL11102181 0.85 HTR2C (0.55) HTR2CKDM4EALDH1A1HPGDHTR2A
SCHEMBL11103525 0.82 ALDH1A1 (0.40) HTR2CKDM4EALDH1A1HPGDSMN1; SMN2
Fumaric Acid SCHEMBL11104211 0.80 HRH1 (0.41) HTR2CKDM4EALDH1A1HTR2AHRH1
Maleic Acid SCHEMBL11104208 0.80 HRH1 (0.41) HTR2CKDM4EALDH1A1HTR2AHRH1
SCHEMBL11281402 0.79 HTR2C (0.67) HTR2CKDM4EALDH1A1HPGDHTR2A

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
US-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US claimed
US-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US disclosed
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