SCHEMBL7925814

SCHEMBL7925814

FC(F)(F)c1cc(CNCC(c2ccccc2)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.50
TACR1 P25103 12/20 0.48
LMNA P02545 1/20 0.48
NR1I2 O75469 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CNR1 P21554 1/20 0.48
HRH1 P35367 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
GHSR Q92847 1/20 0.48
CYP2D6 P10635 1/20 0.46
SIGMAR1 Q99720 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 0.94 TACR1 (0.52) CCR3TACR1
SCHEMBL7975422 0.91 CCR3 (0.55) CCR3TACR1CYP2D6
SCHEMBL7932667 0.85 LMNA (0.47) CCR3TACR1LMNA
SCHEMBL7932641 0.83 CCR3 (0.57) CCR3TACR1SIGMAR1
SCHEMBL7987228 0.83 CCR3 (0.67) CCR3TACR1
SCHEMBL7926034 0.82 TACR1 (0.48) CCR3TACR1
SCHEMBL7934653 0.82 CCR3 (0.60) CCR3TACR1
SCHEMBL7926185 0.81 CCR3 (0.59) CCR3TACR1CYP2D6
SCHEMBL7934776 0.81 TACR1 (0.57) CCR3TACR1
SCHEMBL7975478 0.80 CCR3 (0.61) 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 4 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