SCHEMBL9602330

SCHEMBL9602330

CC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
CNR2 P34972 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
DRD2 P14416 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL9603224 0.93 DRD2 (0.36) SIGMAR1DRD2HRH3MAPT
SCHEMBL9602850 0.92 DRD2 (0.35) ESR1CNR2SIGMAR1DRD2LMNA
SCHEMBL9602809 0.87 DRD2 (0.34) CNR2DRD2HRH3KDM4EALDH1A1
SCHEMBL9602515 0.86 ALDH1A1 (0.33) DRD2KDM4EALDH1A1LMNAGAA
SCHEMBL9602555 0.86 ALDH1A1 (0.34) DRD2KDM4EALDH1A1LMNAGAA
SCHEMBL9866075 0.85 HTR1A (0.37) ESR1ESR2DRD2HRH3
SCHEMBL9601947 0.84 ADRB1 (0.39) KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL9602310 0.84 S1PR1 (0.33) DRD2KDM4EALDH1A1LMNAGAA
SCHEMBL9601493 0.81 MAPT (0.40) DRD2KDM4EALDH1A1LMNAGAA
Fumaric Acid SCHEMBL9603164 0.80 KDM4E (0.35) DRD2KDM4EALDH1A1LMNAGAA

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