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SCHEMBL632205

SCHEMBL632205

CS(=O)(=O)c1ccc(CNC(=O)C(CCN2CCC3(CC2)OC(=O)Nc2ccc(F)cc23)c2ccc(Cl)c(Cl)c2)cc1.O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)O)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 8/20 0.48
▸ TACR1 P25103 8/20 0.46
▸ CCR2 P41597 10/20 0.40
▸ CCR5 P51681 2/20 0.39
▸ PLD2 O14939 1/20 0.38
▸ PLD1 Q13393 1/20 0.38

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
SCHEMBL5002837 0.97 TACR3 (0.50) TACR3TACR1CCR2CCR5PLD2
SCHEMBL632085 0.91 TACR3 (0.53) TACR3TACR1CCR2CCR5PLD2
SCHEMBL632360 0.90 TACR3 (0.47) TACR3TACR1CCR2CCR5PLD2
SCHEMBL631567 0.89 TACR3 (0.57) TACR3TACR1CCR2CCR5PLD2
SCHEMBL632423 0.89 TACR1 (0.54) TACR3TACR1CCR2CCR5PLD2
SCHEMBL13994792 0.88 TACR3 (0.51) TACR3TACR1CCR2CCR5PLD2
SCHEMBL632674 0.88 TACR3 (0.51) TACR3TACR1CCR2CCR5PLD2
SCHEMBL4999594 0.87 TACR3 (0.49) TACR3TACR1CCR2CCR5PLD2
SCHEMBL632023 0.86 TACR3 (0.49) TACR3TACR1CCR2CCR5PLD2
SCHEMBL631479 0.86 TACR3 (0.54) TACR3TACR1CCR2PLD2PLD1

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