SCHEMBL9592175

SCHEMBL9592175

O=C(NC(=O)c1ccncc1)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 16/20 0.71
MCHR1 Q99705 4/20 0.68
DRD4 P21917 1/20 0.56

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
SCHEMBL9592427 0.90 MCHR1 (0.70) CCR3MCHR1DRD4
SCHEMBL11057431 0.90 CCR3 (0.84) CCR3MCHR1DRD4
SCHEMBL9591400 0.89 CCR3 (0.67) CCR3MCHR1DRD4
SCHEMBL9792346 0.86 MCHR1 (0.84) CCR3MCHR1DRD4
SCHEMBL9748813 0.84 CCR3 (0.62) CCR3MCHR1DRD4
SCHEMBL9592845 0.83 DRD4 (0.67) CCR3MCHR1DRD4
SCHEMBL18844433 0.83 CCR3 (1.00) CCR3MCHR1
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) CCR3MCHR1DRD4
SCHEMBL9749235 0.81 CCR3 (0.61) CCR3MCHR1
Panuramine SCHEMBL9749426 0.81 MCHR1 (0.81) CCR3MCHR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 US claimed
EP-0228795-A1 Piperidine derivatives having a psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-07-15 EP claimed
CN-86107819-A Heterogeneous ring compound 1987-06-10 CN claimed
US-5212179-A Antidepressants JOHN WYETH AND BROTHER LIMITED (GB) 1993-05-18 US disclosed
CN-1014411-B Process for preparing N[[[[1-(6-fluo-2-naphthyl) methyl]-4-piperidyl] amino] carboxyl] pyridylcarboxamide WYETH JOHN & BROTHER LTD (GB) 1991-10-23 CN disclosed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 US disclosed
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 US disclosed
EP-0228795-A1 Piperidine derivatives having a psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-07-15 EP disclosed
CN-86107819-A Heterogeneous ring compound 1987-06-10 CN disclosed