SCHEMBL7926311

SCHEMBL7926311

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.53
CCR3 P51677 2/20 0.44
ALDH1A1 P00352 7/20 0.41
CCR2 P41597 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 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
SCHEMBL7936497 0.86 CCR3 (0.60) TACR1CCR3CCR2SMN1; SMN2
SCHEMBL7925864 0.85 TACR1 (0.51) TACR1CCR3ALDH1A1CCR2KDM4E
SCHEMBL7936460 0.85 TACR1 (0.60) TACR1CCR3CCR2
SCHEMBL7938507 0.85 TACR1 (0.60) TACR1CCR3CCR2
SCHEMBL7935457 0.84 TACR1 (0.54) TACR1CCR3CCR2SMN1; SMN2TSHR
SCHEMBL7932622 0.84 TACR1 (0.54) TACR1CCR3CCR2
SCHEMBL7935264 0.82 TACR1 (0.57) TACR1CCR3CCR2
SCHEMBL7936526 0.82 TACR1 (0.53) TACR1CCR3ALDH1A1CCR2KDM4E
SCHEMBL7925958 0.81 TACR1 (0.56) TACR1CCR3ALDH1A1CCR2
SCHEMBL7926046 0.81 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