SCHEMBL7935233

SCHEMBL7935233

FC(F)(F)c1cc(CNCC(C(c2ccccc2)c2ccccc2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.62
CCR3 P51677 10/20 0.55
CCR2 P41597 1/20 0.45

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
SCHEMBL7934835 0.88 CCR3 (0.71) TACR1CCR3
SCHEMBL7934676 0.83 TACR1 (0.64) TACR1CCR3CCR2
SCHEMBL7925985 0.81 CCR3 (0.61) TACR1CCR3
SCHEMBL7989145 0.81 CCR3 (0.68) TACR1CCR3
SCHEMBL7938452 0.80 CCR3 (0.60) TACR1CCR3
SCHEMBL9054676 0.80 TACR1 (0.58) TACR1CCR3
SCHEMBL7926011 0.78 CCR3 (0.72) CCR3
SCHEMBL7934688 0.78 CCR3 (0.68) TACR1CCR3
SCHEMBL7936470 0.78 CCR3 (0.84) TACR1CCR3
SCHEMBL8675306 0.78 TACR1 (0.54) TACR1CCR3

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 5 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
US-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 US disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed