SCHEMBL8326841

SCHEMBL8326841

CCOCC1Cc2ccccc2CN1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.57
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
PRCP P42785 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL8326838 1.00 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL25377761 1.00 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL31264062 1.00 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL7585285 0.83 PNMT (0.61) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL14149428 0.82 PNMT (0.49) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL15704200 0.82 PNMT (0.49) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL172636 0.82 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL14355729 0.82 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL13453377 0.82 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL31263827 0.82 PNMT (0.56) PNMTPRCPOPRM1OPRL1

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
US-5968944-A TREATING STRESS AND ANXIETY RELATED DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
EP-0764153-A1 SUBSTITUTED PYRAZOLES HAVING CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033727-A1 SUBSTITUTED PYRAZOLES HAVING CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-12-14 WO disclosed