SCHEMBL9802142

SCHEMBL9802142

NCC1OC(c2ccccc2)Cc2c1ccc(Br)c2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 1.00
ADRA2B P18089 2/20 1.00
ADRA2C P18825 2/20 1.00
ADRA1D P25100 2/20 1.00
HTR2C P28335 2/20 1.00
ADRA1A P35348 2/20 1.00
ADRA1B P35368 2/20 1.00
DRD1 P21728 13/20 0.77
KDM4E B2RXH2 1/20 0.77
TP53 P04637 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
MAPT P10636 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
HSD17B10 Q99714 1/20 0.77

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
SCHEMBL9802411 1.00 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL9802307 1.00 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
Hydrochloric Acid SCHEMBL9802020 0.99 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
Hydrochloric Acid SCHEMBL9802211 0.99 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL10380334 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL19464266 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL7447363 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL31018017 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL399278 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C
SCHEMBL30734435 0.87 DRD1 (1.00) ADRA2AADRA2BADRA2CADRA1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed