SCHEMBL6924642

SCHEMBL6924642

c1ccc(Cn2c3ccccc3c3c(OCCNCCCN4CCOCC4)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.42
ABCB1 P08183 1/20 0.42
HTR6 P50406 2/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
PRKDC P78527 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 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
SCHEMBL6927560 0.94 DRD1 (0.45) DRD1DRD4DRD5KDM4EHTR6
SCHEMBL6925328 0.88 DRD1 (0.56) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL6925529 0.82 HTR6 (0.47) KMT2ADRD4HTR6TSHR
SCHEMBL6927462 0.80 HTR6 (0.46) KMT2AHTR6TSHR
SCHEMBL6925119 0.80 HTR1B (0.54) KMT2AHTR6
SCHEMBL6921654 0.80 HTR6 (0.49) KMT2AKDM4EHTR6
SCHEMBL6928704 0.80 HTR1D (0.54) KMT2AHTR6TSHR
SCHEMBL6920002 0.78 HRH1 (0.53) DRD1DRD4DRD5ABCB1TSHR
SCHEMBL6921216 0.78 HTR1B (0.53) KMT2AMEN1POLBHTR6
SCHEMBL6926928 0.78 ESR1 (0.54) DRD1DRD4DRD5ABCB1HTR6

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 6 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 claimed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP claimed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO claimed
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