SCHEMBL7932667

SCHEMBL7932667

FC(F)(F)c1cc(CNCC(c2ccccc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR3 P51677 1/20 0.46
KDM4E B2RXH2 2/20 0.45
OPRD1 P41143 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TACR1 P25103 3/20 0.45
MCHR1 Q99705 2/20 0.44
TSHR P16473 2/20 0.44
FAAH O00519 1/20 0.44
TRPV6 Q9H1D0 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
SCHEMBL16226687 0.86 TACR1 (0.52) CCR3TACR1
SCHEMBL7989488 0.86 TACR1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL7925814 0.85 CCR3 (0.50) LMNACCR3TACR1
SCHEMBL7988909 0.83 FAAH (0.51) LMNAALDH1A1L3MBTL1CCR3OPRD1
SCHEMBL8671441 0.80 LMNA (0.49) LMNASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL8671447 0.79 LMNA (0.48) LMNASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL7932641 0.79 CCR3 (0.57) CCR3TACR1
SCHEMBL7987228 0.78 CCR3 (0.67) CCR3TACR1
SCHEMBL7934776 0.78 TACR1 (0.57) CCR3TACR1
SCHEMBL7926034 0.78 TACR1 (0.48) CCR3OPRD1TACR1

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 6 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
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed