SCHEMBL9446191

SCHEMBL9446191

CCc1cccc(N(C)CCO)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 20/20 0.48
▸ TP53 P04637 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42

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
SCHEMBL11787174 0.90 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9446203 0.86 NOS1 (0.42) TSHR
SCHEMBL2388264 0.84 ENPP2 (0.44) SIGMAR1
SCHEMBL11330980 0.84 SIGMAR1 (0.45) SIGMAR1
SCHEMBL9446165 0.81 ALDH1A1 (0.49) SIGMAR1TSHR
SCHEMBL14459615 0.80 SIGMAR1 (0.43) SIGMAR1
SCHEMBL14368015 0.79 SIGMAR1 (0.42) SIGMAR1
SCHEMBL11732126 0.78 ALOX15 (0.43) SIGMAR1TSHR
SCHEMBL8095675 0.78 HTR7 (0.47) SIGMAR1TP53
SCHEMBL5145010 0.78 ALDH1A1 (0.59) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250420-A Using an electron carrier TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-10-05 — — US disclosed
EP-0285998-B1 METHOD AND REAGENT FOR DETERMINATION OF DEHYDROGENASE OR ITS SUBSTRATE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-08-04 — — EP disclosed
EP-0285998-A2 Method and reagent for determination of dehydrogenase or its substrate TOYO BOSEKI KABUSHIKI KAISHA (JP) 1988-10-12 — — EP disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 — — US disclosed
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