SCHEMBL8993948

SCHEMBL8993948

CN(CCCCN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM2 P08172 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
AOC3 Q16853 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL26782114 0.98 CHRM2 (0.46) MAOAADRA2CCHRM2CARM1PRMT6
Iodide SCHEMBL10492775 0.98 ADRA2C (0.42) MAOAADRA2CCHRM2CARM1PRMT6
SCHEMBL544087 0.94 ADRA2C (0.49) ADRA2CCARM1PRMT6PRMT8AOC3
SCHEMBL13645984 0.89 SIGMAR1 (0.48) AOC3SIGMAR1CA12CA2CA9
SCHEMBL8643584 0.88 CHRM2 (0.46) CHRM2SIGMAR1CA12CA2CA9
SCHEMBL17037834 0.87 SIGMAR1 (0.52) AOC3SIGMAR1CA12CA2CA9
Hydrochloric Acid SCHEMBL8647546 0.87 CHRM2 (0.44) CHRM2
SCHEMBL4395973 0.85 CARM1 (0.52) ADRA2CCARM1PRMT6PRMT8AOC3
SCHEMBL11145951 0.84 CA12 (0.47) AOC3SIGMAR1CA12CA2CA9
Hydrochloric Acid SCHEMBL6890412 0.83 CARM1 (0.50) ADRA2CCARM1PRMT6PRMT8AOC3

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
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US disclosed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP disclosed