SCHEMBL10378233

SCHEMBL10378233

Cc1c(F)c(N2CCN3CCC2C3)cc2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TOP2A P11388 3/20 0.36
▸ TOP2B Q02880 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PIK3CG P48736 4/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ PIK3R1 P27986 3/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL9585476 0.86 KCNH2 (0.64) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL7498379 0.83 KCNH2 (0.46) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10646730 0.83 KDM4E (0.49) HRH3ALDH1A1KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL9669818 0.82 KDM4E (0.48) HRH3ALDH1A1KDM4ELMNAHPGD
SCHEMBL9048539 0.81 HRH3 (0.53) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL9049511 0.80 KCNH2 (0.59) KCNH2HRH3ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL10443267 0.80 KCNH2 (0.54) KCNH2HRH3ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL10443393 0.80 KCNH2 (0.54) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10698327 0.80 KCNH2 (0.54) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10682867 0.79 MEN1 (0.46) KCNH2ALDH1A1KDM4ELMNAHPGD

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-0391132-A1 5-Alkylquinolinone carboxylic acids BAYER AG (DE) 1990-10-10 — — EP disclosed
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