SCHEMBL8003068

SCHEMBL8003068

CN(C)CCCOc1n[nH]cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.52
▸ TOP2A P11388 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44

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
SCHEMBL3263121 0.78 MAPK1 (0.43) KDM4ECDC7PLK4CHEK1CHUK
SCHEMBL8004181 0.77 HRH1 (0.59) LSSHRH3TOP2AKDM4EGUCY1B2
SCHEMBL26588845 0.74 HRH3 (0.53) LSSHRH3TOP2AHTR7KDM4E
Hydrochloric Acid SCHEMBL10813003 0.74 TOP2A (0.59) LSSHRH3TOP2A
SCHEMBL30866877 0.73 HRH3 (0.49) LSSHRH3TOP2AHTR7KDM4E
SCHEMBL30866919 0.73 HRH3 (0.49) LSSHRH3TOP2AHTR7KDM4E
SCHEMBL21512508 0.73 HRH3 (0.49) LSSHRH3TOP2AHTR7KDM4E
SCHEMBL21512510 0.73 HRH3 (0.49) LSSHRH3TOP2AHTR7KDM4E
SCHEMBL8415073 0.73 HTR7 (0.84) LSSHTR7KDM4EMAPK1ADRB2
SCHEMBL1386673 0.73 SQOR (0.49) KDM4ECDC7CDK1CDK2MAPK1

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 — — WO disclosed
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