SCHEMBL4758993

SCHEMBL4758993

O=C1CC2([CH]CN(C(=O)c3c[nH]c4ccccc34)CC2)c2cc(Br)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 7/20 0.44
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ OXTR P30559 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL4758995 0.85 AVPR1A (0.49) AVPR1AMGAMGAASIMGAM2
SCHEMBL4359077 0.79 MGAM (0.53) AVPR1AMGAMGAASIMGAM2
SCHEMBL4359923 0.68 AVPR1A (0.58) AVPR1AHDAC1HDAC6OXTR
SCHEMBL5137269 0.66 HTR3E (0.42) AVPR1AMGAMGAASIMGAM2
SCHEMBL7276324 0.64 GFER (0.62) AVPR1AGAAHTTMAPK14GFER
SCHEMBL8707863 0.64 GFER (0.67) AVPR1AHTTMAPK14GFERCCR5
SCHEMBL8708574 0.64 GFER (0.59) AVPR1AHTTMAPK14GFERCCR5
SCHEMBL289605 0.64 POLB (0.74) AVPR1AGAAHTTMAPK14GFER
SCHEMBL13602796 0.64 AVPR1A (0.78) AVPR1AHTTMAPK14GFERCCR5
SCHEMBL4356598 0.64 AVPR1A (0.78) AVPR1AHTTMAPK14GFERCCR5

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-1973913-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-10-01 — — EP disclosed
WO-2007077122-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 — — WO disclosed
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