SCHEMBL1377248

SCHEMBL1377248

c1cc(OCCN2CCc3ccccc3C2)cc(-c2noc3ccsc23)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ABCB1 P08183 3/20 0.46
PRMT5 O14744 12/20 0.43
WDR77 Q9BQA1 12/20 0.43
ABCC1 P33527 1/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6070243 0.95 L3MBTL1 (0.47) L3MBTL1ABCB1PRMT5WDR77ABCC1
SCHEMBL6069752 0.85 LTA4H (0.55) LTA4HKDM4E
SCHEMBL13898765 0.85 PRMT5 (0.65) PRMT5WDR77
SCHEMBL15833305 0.85 PRMT5 (0.65) PRMT5WDR77
SCHEMBL6070257 0.84 BACE1 (0.56) L3MBTL1LTA4HKDM4E
SCHEMBL6069522 0.84 BACE1 (0.56) L3MBTL1LTA4HKDM4E
SCHEMBL1377022 0.84 BACE1 (0.56) L3MBTL1LTA4HKDM4E
Hydrochloric Acid SCHEMBL3896271 0.84 PRMT5 (0.64) PRMT5WDR77
SCHEMBL1377237 0.82 LTA4H (0.47) LTA4HMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6070752 0.81 HRH3 (0.47) LTA4HMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4717306-B2 2011-07-06 JP claimed
US-7091199-B1 Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-08-15 US claimed
EP-1216249-B1 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
JP-2003509431-A 2003-03-11 JP claimed
EP-1216249-A2 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019832-A2 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-7091199-B1 Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-08-15 US disclosed
EP-1216249-B1 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP disclosed