SCHEMBL7938476

SCHEMBL7938476

Fc1ccc(N2CCN(C(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.64
CCR2 P41597 3/20 0.52
TACR1 P25103 3/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7975478 0.94 CCR3 (0.61) CCR3TACR1
SCHEMBL7934653 0.94 CCR3 (0.60) CCR3TACR1
SCHEMBL7926197 0.88 CCR3 (0.67) CCR3TACR1GAATP53THRB
SCHEMBL7989728 0.86 CCR3 (0.49) CCR3TACR1
SCHEMBL7989186 0.85 CCR3 (0.49) CCR3CCR2TACR1TP53LMNA
SCHEMBL7936518 0.85 CCR3 (0.60) CCR3TACR1
SCHEMBL7987228 0.84 CCR3 (0.67) CCR3CCR2TACR1
SCHEMBL7934776 0.84 TACR1 (0.57) CCR3CCR2TACR1
SCHEMBL7938479 0.83 CCR3 (0.61) CCR3TACR1THRB
SCHEMBL7932696 0.82 CCR3 (0.50) CCR3CCR2TACR1

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