SCHEMBL10647445

SCHEMBL10647445

O=C(O)Oc1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.52
▸ SLC6A4 P31645 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
SCHEMBL9828847 0.95 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL10646937 0.93 HTR1A (0.50) HTR1A
SCHEMBL10652767 0.93 DRD2 (0.48) —
SCHEMBL10652180 0.92 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL10414179 0.92 HTR1A (0.51) HTR1ASLC6A4
SCHEMBL10414111 0.91 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL10413623 0.91 HTR1D (0.53) HTR1ASLC6A4
SCHEMBL10412928 0.90 HTR1D (0.54) HTR1ASLC6A4
SCHEMBL10413761 0.90 HTR1A (0.51) HTR1ASLC6A4
SCHEMBL10413241 0.90 HTR1A (0.51) HTR1ASLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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