SCHEMBL10648783

SCHEMBL10648783

O=C(O)c1ccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ AVPR1A P37288 1/20 0.43
▸ PRKG1 Q13976 1/20 0.43
▸ SLC18A3 Q16572 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ CCR3 P51677 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
SCHEMBL9582467 0.93 DRD2 (0.47) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL10650001 0.92 DRD2 (0.49) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL10648787 0.86 DRD2 (0.47) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL10412923 0.85 SLC18A3 (0.47) DRD2DRD4DRD3AVPR1ASLC18A3
SCHEMBL9582267 0.85 HTR7 (0.54) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL10413887 0.85 DRD2 (0.68) DRD2DRD4DRD3ADRA1D
SCHEMBL9582259 0.84 KMT2A (0.54) DRD2DRD4DRD3ADRA2AADRA2B
SCHEMBL9582120 0.84 HTR1D (0.42) DRD2DRD4DRD3CCR3
SCHEMBL9582464 0.84 DRD2 (0.44) DRD2DRD4DRD3CCR3
SCHEMBL10413621 0.81 DRD2 (0.45) DRD2DRD4DRD3AVPR1ASLC18A3

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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