SCHEMBL6921090

SCHEMBL6921090

N#CCOc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.50
DNM1 Q05193 2/20 0.49
TLR4 O00206 4/20 0.45
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ADRB1 P08588 4/20 0.43
ADRB3 P13945 4/20 0.43
DRD2 P14416 3/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43

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
SCHEMBL6470931 0.79 ADRB2 (0.53) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL6009074 0.79 ADRB2 (0.57) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL29180949 0.77 MAOB (0.47) ADRB2DNM1TLR4ABCG2ADRB1
SCHEMBL6472027 0.76 ADRB2 (0.58) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL14046114 0.76 ADRB2 (0.61) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL4893406 0.76 SRD5A2 (0.56) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL6925186 0.76 ADRB2 (0.58) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL30493558 0.76 ADRB2 (0.58) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL1731197 0.75 ADRB2 (0.50) ADRB2DNM1TLR4IMPDH2IMPDH1
SCHEMBL4627007 0.75 ADRB2 (0.60) ADRB2DNM1TLR4IMPDH2IMPDH1

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
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed