SCHEMBL10490489

SCHEMBL10490489

CCCCCCCCCCN(CC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KCNH2 Q12809 6/20 0.51
CNR2 P34972 4/20 0.51
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
ICMT O60725 1/20 0.44
ALB P02768 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR7 P34969 1/20 0.42
TACR1 P25103 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
SCHEMBL10786663 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL7104914 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL27372199 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL8065394 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL21917084 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL16294617 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL10490441 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
SCHEMBL4342408 1.00 TSHR (0.52) TSHRKCNH2CNR2NPC1JAK2
Hydrochloric Acid SCHEMBL11408583 0.98 KCNH2 (0.50) TSHRKCNH2CNR2NPC1JAK2
Hydrochloric Acid SCHEMBL11405509 0.98 KCNH2 (0.50) TSHRKCNH2CNR2NPC1JAK2

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
US-4562253-A Deacylation of amides BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-12-31 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-4804747-A NON-LINEAR OPTICAL ELEMENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-14 US disclosed
EP-0293093-A2 Azo Compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-30 EP disclosed
EP-0220042-A2 Azo compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-29 EP disclosed
EP-0108034-B1 DEACYLATION OF AMIDES BIOCHEMIE Gesellschaft m.b.H. (AT) 1987-01-28 EP disclosed
US-4562253-A Deacylation of amides BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-12-31 US disclosed
EP-0108034-A2 Deacylation of amides BIOCHEMIE Gesellschaft m.b.H. (AT) 1984-05-09 EP disclosed