SCHEMBL7925896

SCHEMBL7925896

COc1ccccc1C(CNC(=O)Nc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 12/20 0.69
TACR1 P25103 1/20 0.50
SLC1A2 P43004 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7932599 0.89 CCR3 (0.71) CCR3TACR1SLC1A2MEN1KMT2A
SCHEMBL7932765 0.88 CCR3 (0.70) CCR3TACR1GAAALDH1A1
SCHEMBL18840871 0.82 CCR3 (1.00) CCR3LMNA
SCHEMBL7934635 0.78 CCR3 (0.64) CCR3TACR1GAAALDH1A1
SCHEMBL7932702 0.77 MEN1 (0.70) CCR3SLC1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7938483 0.77 GAA (0.76) CCR3TACR1GAAMEN1ALDH1A1
SCHEMBL18840846 0.77 CCR3 (1.00) CCR3TACR1
SCHEMBL18840945 0.77 CCR3 (1.00) CCR3TACR1
SCHEMBL7938462 0.76 CCR3 (0.66) CCR3TACR1
SCHEMBL7925817 0.76 TACR1 (0.62) 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-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