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SCHEMBL632080

SCHEMBL632080

CCCCN(C)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 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 7/20 0.57
▸ TACR1 P25103 8/20 0.49
▸ ADRA1A P35348 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ PLD2 O14939 2/20 0.38
▸ PLD1 Q13393 2/20 0.38
▸ TACR2 P21452 4/20 0.38
▸ CCR2 P41597 2/20 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
SCHEMBL631466 0.97 TACR3 (0.60) TACR3TACR1ADRA1AMCHR1PLD2
SCHEMBL631479 0.89 TACR3 (0.54) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631478 0.89 TACR3 (0.54) TACR3TACR1PLD2PLD1TACR2
Hydrochloric Acid SCHEMBL630984 0.88 TACR3 (0.54) TACR3TACR1PLD2PLD1TACR2
Hydrochloric Acid SCHEMBL630985 0.88 TACR3 (0.54) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631066 0.88 TACR3 (0.60) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631067 0.88 TACR3 (0.60) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631498 0.87 TACR3 (0.53) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631147 0.87 TACR3 (0.69) TACR3TACR1PLD2PLD1TACR2
SCHEMBL631234 0.87 TACR3 (0.72) TACR3TACR1PLD2PLD1TACR2

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