SCHEMBL9814151

SCHEMBL9814151

Oc1ccc2c(c1Br)CCCC2C1=NCCN1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.62
ADRA2A P08913 3/20 0.62
MEN1 O00255 1/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1A P08908 1/20 0.53
OPRM1 P35372 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL8241485 0.88 ADRA1A (0.66) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL768604 0.88 ADRA1A (0.66) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL10752562 0.85 ADRA1A (0.62) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL9814108 0.84 ADRA1A (0.63) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL768938 0.82 ADRA1A (0.63) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL9814117 0.81 ADRA1A (0.62) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL9814115 0.81 ADRA1A (0.51) ADRA1AADRA2AMEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL10753128 0.81 ADRA1A (0.61) ADRA1AADRA2AMEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL10753409 0.81 MEN1 (0.51) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL9814135 0.80 ADRA1A (0.56) ADRA1AADRA2AMEN1ALOX15KMT2A

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
EP-0166937-B1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed
US-4634705-A Adrenergic amidines ABBOTT LABORATORIES (US) 1987-01-06 US disclosed
EP-0166937-A2 Adrenergic compounds ABBOTT LABORATORIES (US) 1986-01-08 EP disclosed