SCHEMBL9371017

SCHEMBL9371017

[CH2]CCCCCN(C)CCCCC[CH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 4/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DNM1 Q05193 3/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL9170834 0.89 DNM1 (0.52) CHRM2TSHRSIGMAR1S1PR2S1PR1
SCHEMBL7282782 0.89 SIGMAR1 (0.47) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL14892796 0.87 CHRM2 (0.42) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL11501695 0.87 CHRM2 (0.43) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL9729752 0.86 CHRM2 (0.40) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL11775357 0.86 CHRM2 (0.40) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL9579289 0.86 DNM1 (0.48) CHRM2SIGMAR1S1PR2S1PR1S1PR3
SCHEMBL28190285 0.86 CHRM2 (0.40) CHRM2TSHRALDH1A1SIGMAR1S1PR2
SCHEMBL9035334 0.86 S1PR2 (0.42) CHRM2SIGMAR1S1PR2S1PR1S1PR3
SCHEMBL15266038 0.84 CA12 (0.44) CHRM2TSHRALDH1A1SIGMAR1CA12

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-0319480-B1 Process for the methylation of triazine compounds containing 2,2,6,6-tetramethylpiperidine groups CIBA GEIGY AG (CH) 1994-01-26 EP disclosed
US-5130429-A Methylation with formaldehyde in a solvent and distillation CIBA-GEIGY CORPORATION (US) 1992-07-14 US disclosed
EP-0319480-A2 Process for the methylation of triazine compounds containing 2,2,6,6-tetramethylpiperidine groups CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed