SCHEMBL7987228

SCHEMBL7987228

CN1CCN(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.67
TACR1 P25103 12/20 0.65
CCR2 P41597 1/20 0.48
MC4R P32245 1/20 0.47

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
SCHEMBL7934653 0.87 CCR3 (0.60) CCR3TACR1
SCHEMBL7932641 0.87 CCR3 (0.57) CCR3TACR1CCR2
SCHEMBL16226687 0.86 TACR1 (0.52) CCR3TACR1
SCHEMBL7934776 0.86 TACR1 (0.57) CCR3TACR1CCR2
SCHEMBL7975478 0.85 CCR3 (0.61) CCR3TACR1
SCHEMBL7932696 0.85 CCR3 (0.50) CCR3TACR1CCR2
SCHEMBL7926034 0.84 TACR1 (0.48) CCR3TACR1
SCHEMBL7938507 0.84 TACR1 (0.60) CCR3TACR1CCR2MC4R
SCHEMBL7989186 0.84 CCR3 (0.49) CCR3TACR1CCR2
SCHEMBL7938476 0.84 CCR3 (0.64) CCR3TACR1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US claimed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed