SCHEMBL7988909

SCHEMBL7988909

O=C(NCC(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
TSHR P16473 1/20 0.51
UBE2M P61081 2/20 0.51
DCUN1D1 Q96GG9 2/20 0.51
CCR3 P51677 6/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.48
OPRD1 P41143 1/20 0.47
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
MAPT P10636 1/20 0.46
TACR1 P25103 2/20 0.46

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
SCHEMBL7926185 0.86 CCR3 (0.59) UBE2MDCUN1D1CCR3MAPTTACR1
SCHEMBL7932667 0.83 LMNA (0.47) FAAHTSHRCCR3ALDH1A1L3MBTL1
SCHEMBL7934769 0.81 CCR3 (0.56) CCR3TACR1
SCHEMBL7938443 0.80 CCR3 (0.72) CCR3TACR1
SCHEMBL7932645 0.79 CCR3 (0.56) CCR3TACR1
SCHEMBL7938403 0.79 CCR3 (0.59) CCR3TACR1
SCHEMBL7986617 0.79 CCR3 (0.71) CCR3TACR1
SCHEMBL7992865 0.77 CCR3 (0.56) CCR3TACR1
SCHEMBL7935026 0.77 CCR3 (0.58) TSHRCCR3ALDH1A1TP53LMNA
SCHEMBL7934845 0.77 CCR3 (0.70) 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 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