SCHEMBL7039734

SCHEMBL7039734

CN(C)Cc1ccc(C=C2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
ACHE P22303 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MCHR1 Q99705 1/20 0.36
HTR2C P28335 2/20 0.35
MMP9 P14780 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BCHE P06276 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL18991965 0.81 IGF1R (0.47) HRH3ALDH1A1HTR2C
SCHEMBL14731053 0.80 LTA4H (0.40) HRH3ACHETSHRBCHEPARP1
SCHEMBL14720582 0.77 HRH3 (0.37) HRH3TAAR1HTR2C
SCHEMBL14720535 0.77 HRH3 (0.36) HRH3ALDH1A1TSHRHTR2C
SCHEMBL14720429 0.77 HPGD (0.47) HRH3TSHRHTR2C
Hydrochloric Acid SCHEMBL4887847 0.76 OGA (0.36) HRH3HTR2C
SCHEMBL20587570 0.75 OGA (0.40) HRH3ALDH1A1TSHRHTR2C
SCHEMBL14720714 0.73 HDAC6 (0.39) HDAC3HDAC6MMP9
Hydrochloric Acid SCHEMBL4881733 0.73 KMT2A (0.47) HRH3HTR2C
SCHEMBL3282829 0.72 HRH3 (0.51) HRH3HTR2CPARP1

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-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP disclosed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed
CN-1281434-A Urethanes derived from azacycloalkanes, thio and dithio analogues, production and use thereof as 2,3 epoxysqualene lanesterol cyclase inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2001-01-24 CN disclosed