SCHEMBL10652767

SCHEMBL10652767

O=C(O)Oc1ccc2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL10413001 0.95 MAOB (0.52) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10648427 0.93 MAOB (0.44) MAOB
SCHEMBL10647445 0.93 HTR1A (0.52) —
SCHEMBL10646279 0.92 MAOB (0.45) DRD2DRD4DRD3MAOBMAOA
SCHEMBL9828847 0.88 HTR1A (0.54) —
SCHEMBL11351695 0.87 HTR1A (0.60) SIGMAR1
SCHEMBL9582259 0.85 KMT2A (0.54) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL10646937 0.85 HTR1A (0.50) —
SCHEMBL10648787 0.85 DRD2 (0.47) DRD2DRD4DRD3MAOBSIGMAR1
SCHEMBL10414161 0.85 DRD2 (0.47) DRD2DRD4DRD3MAOBSIGMAR1

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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