SCHEMBL8150797

SCHEMBL8150797

N#Cc1ccc(C2CCC(N3CC[C@@H](N)C3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 8/20 0.45
TRPC3 Q13507 7/20 0.42
KDM1A O60341 4/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 4/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL7970183 0.81 TRPC3 (0.48) TRPC6TRPC3KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7965029 0.79 TRPC3 (0.47) TRPC6TRPC3KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7965026 0.79 TRPC3 (0.47) TRPC6TRPC3KDM1AMAOAMAOB
SCHEMBL12915526 0.78 KDM1A (0.46) KDM1AMAOAMAOBHRH3HRH2
SCHEMBL6132351 0.76 SLC18A3 (0.63) MAOAMAOBHRH3KCNH2CYP2D6
SCHEMBL8156110 0.76 OPRM1 (0.44) TRPC6KDM1AHRH3HRH2HRH1
SCHEMBL5958188 0.76 GRIA1 (0.49) MAOAMAOBHRH3KCNH2USP30
Hydrochloric Acid SCHEMBL6961572 0.75 KDM1A (0.43) TRPC6TRPC3KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL7955138 0.75 KDM1A (0.43) TRPC6TRPC3KDM1AMAOAMAOB
SCHEMBL12897676 0.74 HRH3 (0.47) HRH3KCNH2

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
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US claimed