SCHEMBL19190790

SCHEMBL19190790

Clc1cccc(-c2ccc(C[C@@H]3CCCN3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.50
▸ MAOB P27338 2/20 0.47
▸ HTR6 P50406 3/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GHSR Q92847 1/20 0.42
▸ XPO1 O14980 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GRM2 Q14416 1/20 0.41

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
SCHEMBL6991208 0.84 POLB (0.58) POLBMAOBHTR6GHSRHTR1A
SCHEMBL3160680 0.84 POLB (0.58) POLBMAOBHTR6GHSRHTR1A
SCHEMBL11375632 0.84 POLB (0.72) POLBHTR6
SCHEMBL18577442 0.80 POLB (0.61) POLBHTR6
SCHEMBL10132295 0.80 POLB (0.61) POLBHTR6
SCHEMBL1443794 0.80 POLB (0.61) POLBHTR6
SCHEMBL6990304 0.80 POLB (0.66) POLBHTR6GHSRHTR1ACYP2D6
SCHEMBL20828207 0.80 POLB (0.66) POLBHTR6GHSRHTR1ACYP2D6
SCHEMBL29813025 0.80 POLB (0.66) POLBHTR6GHSRHTR1ACYP2D6
Hydrochloric Acid SCHEMBL7278039 0.79 POLB (0.59) POLBHTR6

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
EP-3199517-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2017-08-02 — — EP disclosed
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