SCHEMBL6935782

SCHEMBL6935782

O[C@@H](COc1cccc(-c2onc3sccc23)c1)CN1CCN(c2n[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.41
ABCB1 P08183 6/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5459103 0.85 ADRB3 (0.43) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL6934131 0.85 ADRB3 (0.44) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL6938695 0.83 MAPT (0.53) ADRB3MEN1KMT2AABCB1MAPT
SCHEMBL6934068 0.82 MAPT (0.56) MEN1KMT2AABCB1MAPTALDH1A1
SCHEMBL1380552 0.80 MEN1 (0.42) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL5364972 0.80 MEN1 (0.42) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL6938506 0.79 PRMT5 (0.46) CACNA1GABCB1MAPTALDH1A1PRMT5
SCHEMBL5360123 0.76 HTR2A (0.48) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL5368832 0.76 HTR2A (0.48) ADRB3MEN1KMT2ACACNA1GABCB1
SCHEMBL5360117 0.76 HTR2A (0.48) ADRB3MEN1KMT2ACACNA1GABCB1

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
JP-2003509432-A 2003-03-11 JP claimed
EP-1216250-A1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019833-A1 THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed