SCHEMBL6924730

SCHEMBL6924730

Clc1ccc(CCNCCOc2cccc3c2c2ccccc2n3Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
HTR6 P50406 9/20 0.46
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.42
BCHE P06276 2/20 0.41
DRD2 P14416 1/20 0.41
MCL1 Q07820 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6926844 0.92 KMT2A (0.50) KMT2AHTR6GAACYP19A1DRD2
SCHEMBL6925119 0.84 HTR1B (0.54) KMT2AHTR6HTR1AADRA1DADRA1A
SCHEMBL6921654 0.84 HTR6 (0.49) KMT2AHTR6HTR1AADRA1DADRA1A
SCHEMBL6928704 0.84 HTR1D (0.54) KMT2AHTR6HTR1AADRA1DADRA1A
SCHEMBL6921216 0.83 HTR1B (0.53) KMT2AHTR6HTR1AADRA1DADRA1A
SCHEMBL6925529 0.83 HTR6 (0.47) KMT2AHTR6CYP19A1DRD2MCL1
SCHEMBL6926040 0.82 HTR6 (0.47) KMT2AHTR6HTR1AADRA1DADRA1A
SCHEMBL6927462 0.81 HTR6 (0.46) KMT2AHTR6CYP19A1DRD2MCL1
SCHEMBL6924418 0.81 HTR1B (0.51) HTR6CYP19A1MCL1UTS2RTP53
SCHEMBL6924383 0.81 ADRB2 (0.50) KMT2AHTR6HTR1AADRA1DADRA1A

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