SCHEMBL10899270

SCHEMBL10899270

CCOC(=O)CCc1ccc(CCN2CCN(Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.59
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.53
▸ CACNA1G O43497 1/20 0.52
▸ KCNJ1 P48048 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ CHRM5 P08912 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ FAAH O00519 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10897551 0.91 SIGMAR1 (0.59) SIGMAR1POLBKMT2AMEN1HRH3
SCHEMBL10898699 0.88 ADRA1D (0.53) SIGMAR1POLBKMT2AMEN1HRH3
Hydrochloric Acid SCHEMBL10899218 0.87 ALDH1A1 (0.55) SIGMAR1POLBKMT2AMEN1HRH3
SCHEMBL10899567 0.86 KCNJ1 (0.63) SIGMAR1POLBKMT2AMEN1HRH3
SCHEMBL10900487 0.85 SIGMAR1 (0.66) SIGMAR1POLBHRH3KCNJ1KCNH2
SCHEMBL490909 0.83 CYP4F2 (0.70) POLBKMT2ACYP4F2CYP4A11MAPT
SCHEMBL12244094 0.82 SIGMAR1 (0.57) SIGMAR1POLBKMT2AMEN1HRH3
SCHEMBL10898711 0.80 SIGMAR1 (0.66) SIGMAR1POLBHRH3KCNJ1KCNH2
SCHEMBL10900636 0.80 SIGMAR1 (0.66) SIGMAR1POLBKMT2AHRH3KCNJ1
SCHEMBL10736550 0.79 CYP4F2 (0.64) POLBKMT2ACYP4F2CYP4A11MAPT

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-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
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