SCHEMBL9868534

SCHEMBL9868534

Cc1ccc2c(c1)C1=NN(c3ccc(OCCCN4CCOCC4)cc3)C(=O)CC1CO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MET P08581 1/20 0.40
DHODH Q02127 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
Hydrochloric Acid SCHEMBL9865621 0.80 HRH3 (0.46) HRH3MAPK1USP2LMNA
Hydrochloric Acid SCHEMBL9865627 0.80 HRH3 (0.46) HRH3MAPK1USP2LMNA
Hydrochloric Acid SCHEMBL9866011 0.79 DRD2 (0.44) HRH3
Hydrochloric Acid SCHEMBL9866019 0.79 DRD2 (0.44) HRH3
SCHEMBL9866558 0.78 HRH3 (0.45) HRH3
Hydrochloric Acid SCHEMBL9602446 0.75 MAPK14 (0.46) HRH3KCNH2HTR2A
Hydrochloric Acid SCHEMBL9602451 0.75 MAPK14 (0.46) HRH3KCNH2HTR2A
SCHEMBL10486917 0.74 APP (0.41) ALDH1A1LMNA
Maleic Acid SCHEMBL9602897 0.71 HRH3 (0.44) HRH3KCNH2
Fumaric Acid SCHEMBL9602903 0.71 HRH3 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed