SCHEMBL7989186

SCHEMBL7989186

Fc1ccccc1N1CCN(C(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.49
TACR1 P25103 4/20 0.47
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CCR2 P41597 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 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
SCHEMBL7938519 0.89 CCR3 (0.48) CCR3TACR1
SCHEMBL7934653 0.87 CCR3 (0.60) CCR3TACR1
SCHEMBL7926217 0.86 CCR3 (0.48) CCR3TACR1CCR2
SCHEMBL7936459 0.86 GAA (0.56) CCR3TACR1THRBTP53HSD17B10
SCHEMBL7938476 0.85 CCR3 (0.64) CCR3TACR1THRBSMN1; SMN2TP53
SCHEMBL7975478 0.85 CCR3 (0.61) CCR3TACR1
SCHEMBL7987228 0.84 CCR3 (0.67) CCR3TACR1CCR2
SCHEMBL7932696 0.82 CCR3 (0.50) CCR3TACR1CCR2
SCHEMBL16226687 0.82 TACR1 (0.52) CCR3TACR1
SCHEMBL7934776 0.81 TACR1 (0.57) CCR3TACR1CCR2

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-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