SCHEMBL7205820

SCHEMBL7205820

CC1CC(c2c[nH]c3ccc(Br)cc23)=CCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
HTR6 P50406 4/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
HTT P42858 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
SCHEMBL6625901 0.84 HTR2C (0.41) SLC6A4HTR6HTR1AHTR2AALDH1A1
SCHEMBL18129649 0.76 DYRK1A (0.49) SLC6A4HTR2ACYP3A4HTR2CPDPK1
SCHEMBL18136456 0.76 DYRK1A (0.49) SLC6A4HTR2ACYP3A4HTR2CPDPK1
SCHEMBL6497949 0.76 TDO2 (0.46) SLC6A4GPR84
SCHEMBL7460028 0.75 HTR6 (0.67) SLC6A4HTR6HTR7DRD2HTR2A
SCHEMBL6841621 0.74 HTR1D (0.49) SLC6A4HTR6HTR1ADRD2HTR2A
Water SCHEMBL10867618 0.74 HTR6 (0.70) SLC6A4HTR6HTR7DRD2HTR2A
SCHEMBL5429556 0.74 GPR84 (0.62) SLC6A4HTR6HTR1AHTR7DRD2
SCHEMBL7328255 0.74 TDO2 (0.47) HTR6ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL12127324 0.70 SLC6A4 (0.60) SLC6A4HTR6HTR1AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed
WO-2000034266-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-06-15 WO disclosed