SCHEMBL9383054

SCHEMBL9383054

Nc1nc(N2CCNCC2)nc2c1SCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CASP1 P29466 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.36
▸ HTR2A P28223 3/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 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
SCHEMBL10571282 0.83 HTR2C (0.48) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11101187 0.83 KMT2A (0.46) HTR2CHRH4HTR2AKMT2A
SCHEMBL11106652 0.82 HRH1 (0.51) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11104195 0.82 HRH1 (0.51) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11102793 0.80 HTR2A (0.47) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11101128 0.78 HTR2C (0.49) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11102472 0.78 HTR2C (0.49) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL8563117 0.77 HRH4 (0.42) HTR2CHRH1HRH4HTR2A
SCHEMBL11280239 0.76 HTR2C (0.64) HTR2CHRH1USP2SMN1; SMN2TDP1
SCHEMBL11292336 0.76 HTR2C (0.60) HTR2CHRH1USP2SMN1; SMN2TDP1

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-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US claimed
EP-0276057-B1 Piperazinylpyrimidines as beta-adrenergic receptor blocking agents MERCK & CO INC (US) 1994-03-09 — — EP disclosed
US-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US disclosed
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