SCHEMBL4970864

SCHEMBL4970864

NC(CCc1ccccc1)(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 2/20 0.50
HIF1A Q16665 1/20 0.50
MAOB P27338 7/20 0.46
MAOA P21397 6/20 0.46
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
KEAP1 Q14145 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
SCHEMBL4081566 0.86 TAAR1 (0.64) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
SCHEMBL11305435 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
SCHEMBL26657562 0.84 TAAR1 (0.52) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
Iodide SCHEMBL5087570 0.78 TAAR1 (0.50) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
Bromide SCHEMBL5085125 0.78 TAAR1 (0.50) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
SCHEMBL9768719 0.78 TAAR1 (0.50) SMN1; SMN2TAAR1SLC6A2MAOBMAOA
Hydrochloric Acid SCHEMBL5091682 0.78 MAOB (0.50) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
Bromide SCHEMBL11785400 0.78 TAAR1 (0.50) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
SCHEMBL2778837 0.77 SMN1; SMN2 (0.48) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB
SCHEMBL5647914 0.76 SMN1; SMN2 (0.44) SMN1; SMN2TAAR1SLC6A2HIF1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383089-B1 Cold curing reactive resin blend and its use BAYER AG (DE) 1994-04-06 EP claimed
US-5084544-A Reaction of polyepoxides and polyisocyanates to form polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US claimed
EP-0829463-B2 Process for preparing an (E)-(R)-2-alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol TAKASAGO PERFUMERY CO LTD (JP) 2008-11-05 EP disclosed
EP-0829463-B1 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions TAKASAGO PERFUMERY CO LTD (JP) 2001-12-19 EP disclosed
US-6084138-A CATALYST SELECTIVE AND STEREOSPECIFIC REDUCTION OF CORRESPONDING ALDEHYDE IN THE PRESENCE OF A RUTHENIUM-PHOSPHINE COMPLEX CATALYST, AN ALKALI OR ALKALINE EARTH METAL BASE AND AN AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5994291-A (E)-(R)-2-alkyl-4-(2,2,3,-Trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof TAKASAGO INTERNATIONAL COPORATION (JP) 1999-11-30 US disclosed
US-5856590-A HYDROGENATING 4-T-BUTYLCYCLOHEXANONE BY USING A SPECIFIC RUTHENIUM-PHOSPHINE COMPLEX AS A CATALYST IN THE PRESENCE OF A BASE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-01-05 US disclosed
US-5750804-A HYDROGENATING 3-ISOCAMPHYLCYCLOHEXANONE USING RUTHENIUM/PHOSPHINE COMPLEX CATALYST IN PRESENCE OF ALKALI METAL OR ALKALINE EARTH METAL AND AMINE BASE TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-05-12 US disclosed
EP-0829463-A2 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions Takasago International Corporation (JP) 1998-03-18 EP disclosed