SCHEMBL7374355

SCHEMBL7374355

[CH2]CCC1Cc2ccccc2CN1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.68
PRCP P42785 1/20 0.46
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL8853554 0.88 PNMT (0.71) PNMTPRCPOPRM1OPRL1
SCHEMBL8853548 0.88 PNMT (0.71) PNMTPRCPOPRM1OPRL1
SCHEMBL20554026 0.85 PNMT (0.67) PNMTPRCPOPRM1OPRL1
SCHEMBL11388285 0.81 PNMT (0.64) PNMTPRCP
SCHEMBL8783405 0.81 PNMT (0.64) PNMTPRCP
SCHEMBL25377947 0.81 PNMT (1.00) PNMT
SCHEMBL6847135 0.81 PNMT (1.00) PNMT
SCHEMBL31263935 0.81 PNMT (1.00) PNMT
SCHEMBL3129926 0.79 PNMT (0.59) PNMTPRCP
SCHEMBL172636 0.79 PNMT (0.69) 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
EP-0604186-B1 Inhibitors of HIV protease useful for the treatment of aids LILLY CO ELI (US) 1997-01-22 EP disclosed
US-5491166-A ENZYME INHIBITORS, VIRICIDES ELI LILLY AND COMPANY (US) 1996-02-13 US disclosed
EP-0604186-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed