SCHEMBL4972772

SCHEMBL4972772

COc1ccc2c(c1)c1c(n2-c2ncccn2)C(N)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ BCHE P06276 4/20 0.36
▸ ACHE P22303 4/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2A Q12879 3/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL4970261 0.83 KDM4E (0.42) HSD17B10KDM4EMAPTBCHEACHE
SCHEMBL4970714 0.81 MEN1 (0.40) HTR6HSD17B10MAPTACHEKMT2A
SCHEMBL4971283 0.80 HTR6 (0.39) HTR6KDM4EHRH1MAPTBCHE
SCHEMBL4971034 0.77 KMT2A (0.40) HTR6KMT2A
SCHEMBL4970200 0.76 MAPT (0.43) HTR6HSD17B10KDM4EMAPTRAB9A
SCHEMBL4970766 0.76 HTR6 (0.42) HTR6HSD17B10KDM4EMAPTKMT2A
SCHEMBL4970757 0.74 KDM4E (0.41) HSD17B10KDM4EMAPTBCHEACHE
SCHEMBL4968166 0.73 KDM4E (0.40) HSD17B10KDM4EMAPTBCHEACHE
SCHEMBL28222790 0.71 BCHE (0.47) HSD17B10KDM4EMAPTNPC1BCHE
SCHEMBL4969062 0.70 KDM4E (0.43) HSD17B10KDM4EMAPTBCHEACHE

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
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 — — EP claimed
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