SCHEMBL6062610

SCHEMBL6062610

NCC(Cl)(Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
TSHR P16473 2/20 0.50
KCNN4 O15554 2/20 0.43
KIF11 P52732 7/20 0.43
CYP1A2 P05177 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9618238 0.80 KIF11 (0.50) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL3667295 0.79 TAAR1 (0.52) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL1829396 0.76 TSHR (0.52) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL2562928 0.75 TAAR1 (0.48) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL3046939 0.75 TAAR1 (0.48) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL10749002 0.74 TAAR1 (0.52) TAAR1TSHRKCNN4KIF11LOXL2
SCHEMBL6685341 0.74 TSHR (0.50) TAAR1TSHRKCNN4CYP1A2ALDH1A1
SCHEMBL7736698 0.74 TSHR (0.50) TAAR1TSHRKCNN4KIF11CYP1A2
SCHEMBL7409166 0.74 TSHR (0.50) TAAR1TSHRKCNN4CYP1A2ALDH1A1
SCHEMBL8365376 0.74 TSHR (0.50) TAAR1TSHRKCNN4KIF11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867214-A1 PREPARATION PROCESS OF CARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES THEREOF Kern Pharma, S.L. (ES) 2015-05-06 EP disclosed
WO-2014001511-A1 PREPARATION PROCESS OF CARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES THEREOF KERN PHARMA, S.L. (ES) 2014-01-03 WO disclosed
EP-1454958-B1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEM CO LTD (JP) 2006-10-04 EP disclosed
US-20050001349-A1 Lactic acid polymer composition and molded object thereof NEW JAPAN CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1454958-A1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEMICAL CO.,LTD. (JP) 2004-09-08 EP disclosed
US-5973076-A MOLDING; CONTROLLING TEMPERATURE IN PRESENCE OF AN AMIDE COMPOUND NEW JAPAN CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
EP-0776933-A1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1997-06-04 EP disclosed
EP-0518939-A1 ANTIARRHYTHMIC AGENTS BTG INTERNATIONAL LIMITED (GB) 1992-12-23 EP disclosed
WO-1991013865-A1 ANTIARRHYTHMIC AGENTS ISIS INNOVATION LIMITED (GB) 1991-09-19 WO disclosed