Sugi Predict

Sugi Predict / Compounds / SCHEMBL7989145

SCHEMBL7989145

SCHEMBL7989145

O=C(NCC(C(c1ccccc1)c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 17/20 0.68
▸ TACR1 P25103 2/20 0.65
▸ MCHR1 Q99705 1/20 0.51

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
SCHEMBL7938286 0.89 CCR3 (0.84) CCR3TACR1
SCHEMBL7934878 0.84 TACR1 (0.66) CCR3TACR1
SCHEMBL18840892 0.81 CCR3 (1.00) CCR3
SCHEMBL7935233 0.81 TACR1 (0.62) CCR3TACR1
SCHEMBL7986923 0.80 CCR3 (0.69) CCR3TACR1MCHR1
SCHEMBL7925950 0.79 CCR3 (0.77) CCR3TACR1
SCHEMBL7993636 0.79 TACR1 (0.77) CCR3TACR1
SCHEMBL7932773 0.79 CCR3 (0.77) CCR3TACR1
SCHEMBL7932661 0.79 CCR3 (0.75) CCR3TACR1MCHR1
SCHEMBL7934923 0.78 CCR3 (0.76) CCR3TACR1

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 3 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-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