SCHEMBL9814115

SCHEMBL9814115

COc1ccc2c(c1Br)CCCC2C1=NCCN1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.51
ADRA2A P08913 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP2D6 P10635 2/20 0.50
HTR1A P08908 1/20 0.50
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 1/20 0.49
BLM P54132 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
Hydrochloric Acid SCHEMBL10753409 0.99 MEN1 (0.51) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL5155642 0.87 ADRA1A (0.52) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL9814154 0.86 ADRA1A (0.56) ADRA1AADRA2AMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL10754434 0.86 MEN1 (0.52) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL769697 0.85 ADRA1A (0.62) ADRA1AADRA2AMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL10752634 0.85 MEN1 (0.51) ADRA1AADRA2AMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL10750309 0.85 ADRA1A (0.55) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL9814151 0.81 ADRA1A (0.62) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL8856947 0.79 ADRA1A (0.74) ADRA1AADRA2AMEN1KMT2AALOX15
SCHEMBL768938 0.79 ADRA1A (0.63) ADRA1AADRA2AMEN1KMT2AALOX15

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
EP-0166937-B1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed