SCHEMBL10900487

SCHEMBL10900487

COc1ccc(CN2CCN(CCc3ccc(CCC(=O)O)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.66
▸ HRH3 Q9Y5N1 1/20 0.58
▸ FFAR1 O14842 2/20 0.57
▸ FAAH O00519 1/20 0.56
▸ KCNJ1 P48048 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ DRD2 P14416 1/20 0.52

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
SCHEMBL10898711 0.90 SIGMAR1 (0.66) SIGMAR1HRH3FAAHKCNJ1KCNH2
SCHEMBL10900636 0.87 SIGMAR1 (0.66) SIGMAR1HRH3FAAHKCNJ1KCNH2
SCHEMBL27899189 0.86 SIGMAR1 (0.61) SIGMAR1FAAHPOLBPKMDRD2
SCHEMBL10899270 0.85 SIGMAR1 (0.59) SIGMAR1HRH3FAAHKCNJ1KCNH2
SCHEMBL10902220 0.85 ADRA1D (0.62) SIGMAR1FFAR1KCNH2
SCHEMBL10899496 0.83 CACNA1G (0.54) SIGMAR1HRH3FFAR1FAAHDRD2
SCHEMBL19266400 0.81 FFAR1 (0.67) HRH3FFAR1
SCHEMBL30792366 0.81 FFAR1 (0.81) FFAR1POLB
SCHEMBL274471 0.81 FFAR1 (0.81) FFAR1POLB
SCHEMBL31708723 0.81 SIGMAR1 (0.65) SIGMAR1FAAHPOLBPKMDRD2

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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