SCHEMBL11728320

SCHEMBL11728320

OC[C@H]1Cc2cc(F)ccc2CN1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNMT P11086 13/20 0.58
ADRA2A P08913 1/20 0.51

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
SCHEMBL11728313 1.00 PNMT (0.58) PNMTADRA2A
SCHEMBL11728324 1.00 PNMT (0.58) PNMTADRA2A
SCHEMBL16879015 0.93 PNMT (0.67) PNMTADRA2A
SCHEMBL16879014 0.93 PNMT (0.67) PNMTADRA2A
Hydrochloric Acid SCHEMBL18765647 0.92 PNMT (0.65) PNMTADRA2A
Hydrochloric Acid SCHEMBL18765650 0.92 PNMT (0.65) PNMTADRA2A
SCHEMBL25292916 0.81 PNMT (0.46) PNMTADRA2A
SCHEMBL3127781 0.81 PNMT (0.42) PNMTADRA2A
SCHEMBL31020088 0.81 PNMT (0.46) PNMTADRA2A
SCHEMBL28944806 0.80 PNMT (0.88) 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-4064247-A ANALGESIC, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1977-12-20 US disclosed