SCHEMBL7651909

SCHEMBL7651909

CC(N)Oc1cccc(OC(C)N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
OGG1 O15527 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL11578736 0.91 TAAR1 (0.56) TAAR1MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL11579352 0.87 ACHE (0.54) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL8765717 0.85 OGG1 (0.39) TAAR1MEN1KMT2AOGG1MTNR1A
SCHEMBL11582759 0.85 HSD17B10 (0.44) KMT2AALDH1A1GAAMITFMAPT
SCHEMBL8059974 0.85 OGG1 (0.58) KMT2AOGG1ALDH1A1MAPTKDM4E
SCHEMBL23067916 0.85 HPGD (0.49) MEN1KMT2APARP1
SCHEMBL8765732 0.85 CYP3A4 (0.53) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL507063 0.82 CA4 (0.43) TAAR1MTNR1AMTNR1BGAAKDM4E
SCHEMBL24309913 0.82 CA4 (0.43) TAAR1MTNR1AMTNR1BGAAKDM4E
SCHEMBL24497436 0.80 TAAR1 (0.59) TAAR1HTR2AHTR2CHTR2B

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
WO-2020203818-A1 ASBESTOS DETECTING AGENT, ASBESTOS DETECTING KIT, AND ASBESTOS DETECTING METHOD 広島県 2020-10-08 WO disclosed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP disclosed
US-6306180-B1 FOR COLORING HUMAN HAIR; RESISTANCE TO LIGHT AND BAD WEATHER, AND WITH RESPECT TO PERSPIRATION, SHAMPOOING ETC. L'OREAL, S.A. (FR) 2001-10-23 US disclosed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 WO disclosed
US-4323360-A Dyeing compositions for hair which contain 2,4-diamino-butoxybenzene and/or a salt thereof as the coupling agent L'OREAL (FR) 1982-04-06 US disclosed