SCHEMBL7935457

SCHEMBL7935457

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.54
CCR3 P51677 4/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.44
CCR2 P41597 1/20 0.42
GHSR Q92847 1/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7932622 0.91 TACR1 (0.54) TACR1CCR3GAANPC1CCR2
SCHEMBL7936526 0.89 TACR1 (0.53) TACR1CCR3GAANPC1CCR2
SCHEMBL7936497 0.88 CCR3 (0.60) TACR1CCR3CCR2SMN1; SMN2
SCHEMBL7936460 0.86 TACR1 (0.60) TACR1CCR3CCR2
SCHEMBL7938507 0.86 TACR1 (0.60) TACR1CCR3CCR2GHSR
SCHEMBL7936459 0.85 GAA (0.56) TACR1CCR3GAANPC1CCR2
SCHEMBL7925958 0.85 TACR1 (0.56) TACR1CCR3CCR2
SCHEMBL7935264 0.84 TACR1 (0.57) TACR1CCR3CCR2
SCHEMBL7926311 0.84 TACR1 (0.53) TACR1CCR3CCR2TSHRSMN1; SMN2
SCHEMBL7932658 0.83 TACR1 (0.56) TACR1CCR3CCR2

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