SCHEMBL4368750

SCHEMBL4368750

O=C(c1cn(Cc2cccc(-c3ccccc3)c2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.69
OXTR P30559 1/20 0.56
AVPR2 P30518 1/20 0.51
SERPINE1 P05121 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4360808 0.91 AVPR1A (0.69) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4357772 0.88 AVPR1A (0.72) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4358878 0.87 AVPR1A (0.71) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4359158 0.87 AVPR1A (0.69) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4356061 0.86 AVPR1A (0.70) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4359209 0.86 AVPR1A (0.82) AVPR1AOXTRAVPR2
SCHEMBL4359207 0.86 AVPR1A (0.82) AVPR1AOXTRAVPR2
SCHEMBL4359135 0.85 AVPR1A (0.69) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL4359951 0.85 AVPR1A (0.65) AVPR1AOXTRAVPR2MEN1KMT2A
SCHEMBL13603014 0.85 AVPR1A (0.63) AVPR1AOXTRAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed