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SCHEMBL631598

SCHEMBL631598

CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(CCN1CCC2(CC1)OC(=O)Nc1ccc(F)cc12)c1ccc(Cl)c(Cl)c1.O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)O)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 8/20 0.63
▸ TACR1 P25103 8/20 0.46
▸ TACR2 P21452 4/20 0.37
▸ PLD2 O14939 1/20 0.35
▸ PLD1 Q13393 1/20 0.35
▸ CCR2 P41597 2/20 0.35
▸ CCR5 P51681 2/20 0.35

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
SCHEMBL631508 0.97 TACR3 (0.66) TACR3TACR1TACR2PLD2PLD1
SCHEMBL632668 0.92 TACR3 (0.66) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631234 0.91 TACR3 (0.72) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631147 0.90 TACR3 (0.69) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631639 0.90 TACR3 (0.77) TACR3TACR1TACR2PLD2PLD1
Hydrochloric Acid SCHEMBL631273 0.89 TACR3 (0.68) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631698 0.89 TACR3 (0.70) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631879 0.89 TACR3 (0.61) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631319 0.87 TACR3 (0.67) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631117 0.87 TACR3 (0.67) TACR3TACR1TACR2PLD2PLD1

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