SCHEMBL14569853

SCHEMBL14569853

C=CC[C@@H]1c2ccc(OC)cc2CC[C@@]1(C)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B1 P14061 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5348869 1.00 HTR2C (0.43) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL5857469 0.81 HTR1A (0.36) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL9862665 0.81 LMNA (0.42) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL7119219 0.81 HTR1A (0.36) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL7122192 0.81 HTR1A (0.36) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL3653651 0.79 HTR1A (0.51) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL10449740 0.78 SIGMAR1 (0.41) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL9634372 0.76 SIGMAR1 (0.39) HTR2CADRB2HTR1AADRA2AADRA2B
SCHEMBL10568561 0.75 RORC (0.44) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL9862525 0.75 LMNA (0.38) HTR2CADRB2HTR1AADRA2AADRA2B

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-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed