SCHEMBL8853554

SCHEMBL8853554

c1ccc2c(c1)CNC(CCC1Cc3ccccc3CN1)C2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.71
PRCP P42785 1/20 0.52
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL8853548 1.00 PNMT (0.71) PNMTPRCPOPRM1OPRL1ADRA2A
SCHEMBL8783405 0.88 PNMT (0.64) PNMTPRCP
SCHEMBL7374355 0.88 PNMT (0.68) PNMTPRCPOPRM1OPRL1
SCHEMBL11388285 0.88 PNMT (0.64) PNMTPRCP
SCHEMBL3129926 0.85 PNMT (0.59) PNMTPRCP
SCHEMBL13453377 0.85 PNMT (0.69) PNMTPRCPOPRM1OPRL1ADRA2A
SCHEMBL172636 0.85 PNMT (0.69) PNMTPRCPOPRM1OPRL1ADRA2A
SCHEMBL14355729 0.85 PNMT (0.69) PNMTPRCPOPRM1OPRL1ADRA2A
SCHEMBL3127955 0.84 PNMT (0.57) PNMTPRCPOPRM1OPRL1ADRA2A
SCHEMBL25377947 0.83 PNMT (1.00) PNMTADRA2A

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-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed