SCHEMBL9602809

SCHEMBL9602809

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G7 Q13093 1/20 0.33
NR3C1 P04150 1/20 0.33
HTR2A P28223 4/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GPR183 P32249 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9602555 0.93 ALDH1A1 (0.34) DRD2ALDH1A1KDM4ELMNAGAA
SCHEMBL9602515 0.88 ALDH1A1 (0.33) DRD2ALDH1A1KDM4ELMNAGAA
SCHEMBL9601947 0.88 ADRB1 (0.39) KDM4ELMNAMAPTCYP1A2ADRB2
SCHEMBL9866075 0.88 HTR1A (0.37) DRD2HTR2CKCNH2HRH3HTR1A
SCHEMBL9602330 0.87 ESR1 (0.37) DRD2ALDH1A1KDM4ELMNAGAA
Fumaric Acid SCHEMBL9865911 0.87 KDM4E (0.35) DRD2ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9602310 0.86 S1PR1 (0.33) DRD2ALDH1A1KDM4ELMNAGAA
SCHEMBL9603224 0.86 DRD2 (0.36) DRD2MAPTHTR2AABCB11CYP1A2
SCHEMBL9602850 0.84 DRD2 (0.35) DRD2LMNAHTR2ADRD3KCNH2
SCHEMBL9601493 0.83 MAPT (0.40) DRD2ALDH1A1KDM4ELMNAGAA

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
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