SCHEMBL9603224

SCHEMBL9603224

CC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
HTR2A P28223 8/20 0.34
SIGMAR1 Q99720 2/20 0.33
SRC P12931 1/20 0.33
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GPR183 P32249 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
APLNR P35414 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
SCHEMBL9602330 0.93 ESR1 (0.37) DRD2SIGMAR1HRH3MAPT
SCHEMBL9602850 0.92 DRD2 (0.35) DRD2HTR2ASIGMAR1DRD3KCNH2
SCHEMBL9602809 0.86 DRD2 (0.34) DRD2HTR2ADRD3KCNH2ABCB11
SCHEMBL9602515 0.86 ALDH1A1 (0.33) DRD2HTR2AMAPT
SCHEMBL9602555 0.86 ALDH1A1 (0.34) DRD2HTR2AMAPT
Hydrochloric Acid SCHEMBL9602310 0.84 S1PR1 (0.33) DRD2HTR2AMAPT
SCHEMBL9866075 0.82 HTR1A (0.37) DRD2KCNH2HTR2CHRH3HTR1A
SCHEMBL9601947 0.82 ADRB1 (0.39) CYP1A2ADRB2SLC6A2CYP2C19ADRA1A
SCHEMBL9601493 0.81 MAPT (0.40) DRD2MAPTSMN1; SMN2
Fumaric Acid SCHEMBL9603160 0.80 KDM4E (0.35) DRD2HTR2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
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