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SCHEMBL632602

SCHEMBL632602

CN1C(=O)OC2(CCN(CCC(C(=O)O)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21.COC1CCN(C(=O)C(CCN2CCC3(CC2)OC(=O)N(C)c2ccc(F)cc23)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 19/20 0.62
▸ TACR1 P25103 19/20 0.57
▸ TACR2 P21452 2/20 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
SCHEMBL5002961 0.97 TACR3 (0.66) TACR3TACR1TACR2
SCHEMBL631599 0.90 TACR3 (0.69) TACR3TACR1
SCHEMBL631282 0.90 TACR3 (0.74) TACR3TACR1TACR2
SCHEMBL631281 0.90 TACR3 (0.74) TACR3TACR1TACR2
SCHEMBL632164 0.89 TACR3 (0.68) TACR3TACR1
SCHEMBL631446 0.85 TACR3 (0.65) TACR3TACR1TACR2
SCHEMBL8184587 0.85 TACR3 (0.71) TACR3TACR1TACR2
SCHEMBL634536 0.84 TACR3 (0.66) TACR3TACR1TACR2
SCHEMBL632261 0.84 TACR3 (0.66) TACR3TACR1
SCHEMBL631563 0.82 TACR3 (0.66) TACR3TACR1TACR2

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-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 — — EP disclosed