SCHEMBL20280911

SCHEMBL20280911

CC(C)c1ccnc(CCN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.46
▸ HTR1D P28221 1/20 0.44
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SREBF2 Q12772 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33

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
SCHEMBL3507581 0.85 TLR9 (0.38) HTR1DTSHRKDM4ELMNACYP3A4
SCHEMBL13533992 0.83 KDM4E (0.50) TSHRKDM4ELMNACYP3A4SREBF2
SCHEMBL6638892 0.81 KDM4E (0.38) HTR1DTSHRKDM4ELMNACYP3A4
SCHEMBL12394763 0.81 HRH4 (0.40) TSHRKDM4ELMNACYP3A4HRH4
SCHEMBL18799858 0.80 LMNA (0.40) TSHRKDM4ELMNACYP3A4SREBF2
SCHEMBL29348302 0.79 RXRA (0.38) TSHRKDM4ELMNACYP3A4CYP2C9
SCHEMBL2547950 0.79 KCNH2 (0.42) TSHRKDM4ELMNACYP3A4SREBF2
SCHEMBL11994370 0.79 CYP1A2 (0.46) TSHRKDM4ELMNACYP3A4SREBF2
SCHEMBL23015678 0.78 KDM4E (0.40) TSHRKDM4ELMNACYP3A4CHRNA7
SCHEMBL19821720 0.77 KDM4E (0.35) TSHRKDM4ELMNACYP3A4RXRA

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
WO-2018107200-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 — — WO disclosed
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