SCHEMBL9602772

SCHEMBL9602772

CC(CN(C)C)Oc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
TOP1 P11387 1/20 0.31
DRD2 P14416 1/20 0.30
CNR2 P34972 1/20 0.30
MAOB P27338 1/20 0.30

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
Fumaric Acid SCHEMBL9867501 0.94 ALDH1A1 (0.35) MCHR1ALDH1A1KDM4EMAPTLMNA
Fumaric Acid SCHEMBL9867491 0.94 ALDH1A1 (0.35) MCHR1ALDH1A1KDM4EMAPTLMNA
Fumaric Acid SCHEMBL9602842 0.93 ALDH1A1 (0.34) MCHR1ALDH1A1KDM4EMAPTLMNA
Fumaric Acid SCHEMBL9602836 0.93 ALDH1A1 (0.34) MCHR1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9603147 0.90 MCHR1 (0.35) MCHR1ALDH1A1MAPTLMNAACHE
SCHEMBL9866052 0.90 MCHR1 (0.34) MCHR1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9865906 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL9602580 0.88 MCHR1 (0.39) MCHR1ALDH1A1KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL9602310 0.87 S1PR1 (0.33) ALDH1A1KDM4EMAPTLMNAGAA
Iodide SCHEMBL9602456 0.87 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTLMNAGAA

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 5 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 claimed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP claimed
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