SCHEMBL7935328

SCHEMBL7935328

O=C(NCC(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.58
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR1A P08908 1/20 0.48
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ENPP2 Q13822 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
SCHEMBL7934845 0.90 CCR3 (0.70) CCR3
SCHEMBL7986617 0.90 CCR3 (0.71) CCR3
SCHEMBL7936440 0.88 CCR3 (0.75) CCR3MAPTLMNASMN1; SMN2
SCHEMBL7987289 0.85 CCR3 (0.79) CCR3MAPTNPSR1LMNA
SCHEMBL7975434 0.82 CCR3 (0.72) CCR3
SCHEMBL7989728 0.82 CCR3 (0.49) CCR3HTR1AENPP2
SCHEMBL7938443 0.81 CCR3 (0.72) CCR3
SCHEMBL7992865 0.81 CCR3 (0.56) CCR3
SCHEMBL7935026 0.81 CCR3 (0.58) CCR3MAPTLMNASMN1; SMN2
SCHEMBL7932368 0.81 CCR3 (0.73) CCR3

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 4 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