SCHEMBL10648787

SCHEMBL10648787

O=C(O)Oc1ccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ AVPR1A P37288 1/20 0.41
▸ SLC18A3 Q16572 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ TACR1 P25103 1/20 0.38

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
SCHEMBL10412923 0.95 SLC18A3 (0.47) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10650789 0.93 DRD2 (0.39) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10650004 0.93 DRD2 (0.47) DRD2DRD4DRD3SLC18A3SIGMAR1
SCHEMBL10648649 0.92 DRD2 (0.43) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10412992 0.88 SLC18A3 (0.47) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10648783 0.86 DRD2 (0.49) DRD2DRD4DRD3AVPR1ASLC18A3
SCHEMBL10413621 0.86 DRD2 (0.45) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10648604 0.86 TRPV1 (0.39) DRD2DRD4DRD3SIGMAR1
SCHEMBL10648539 0.85 DRD2 (0.43) DRD2DRD4DRD3SIGMAR1
SCHEMBL10652767 0.85 DRD2 (0.48) DRD2DRD4DRD3MAOBMAOA

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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