SCHEMBL8174657

SCHEMBL8174657

OCc1nc(C2CC[N]CC2)oc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.41
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HCRTR2 O43614 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL8178561 0.86 MPO (0.41) PRKAA2ADRA1DADRA1AADRA1BTSHR
SCHEMBL8173521 0.80 ADRA1D (0.53) ADRA1DADRA1AADRA1BTSHRHCRTR2
SCHEMBL8174924 0.73 ADRA1D (0.41) ADRA1DADRA1AADRA1BHCRTR2
SCHEMBL8174317 0.71 USP7 (0.40) PRKAA2TSHRLMNAALOX15MAPK1
SCHEMBL8174233 0.70 ADRA1D (0.45) ADRA1DADRA1AADRA1BTSHRLMNA
SCHEMBL8167612 0.68 GCGR (0.40) TSHRNPC1RAB9AGCGRPOLB
SCHEMBL8174451 0.67 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL8179453 0.66 ADRA1D (0.39) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8173485 0.66 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL8174322 0.66 USP7 (0.39) PRKAA2TSHRLMNAGAA

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-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed