SCHEMBL7935658

SCHEMBL7935658

O=C(NCC(c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.85
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL18840926 0.92 CCR3 (1.00) CCR3CYP3A4CYP2C9CYP2C19TP53
SCHEMBL18840933 0.92 CCR3 (1.00) CCR3TP53MAPTTHRBMEN1
SCHEMBL7932702 0.86 MEN1 (0.70) CCR3CYP3A4CYP2C9CYP2C19TP53
SCHEMBL7986617 0.86 CCR3 (0.71) CCR3
SCHEMBL7934845 0.82 CCR3 (0.70) CCR3
SCHEMBL7936440 0.80 CCR3 (0.75) CCR3TP53MAPTTHRBMEN1
SCHEMBL18840917 0.80 CCR3 (1.00) CCR3
SCHEMBL7925833 0.80 CCR3 (0.86) CCR3
SCHEMBL18840871 0.78 CCR3 (1.00) CCR3TP53MAPT
SCHEMBL7987289 0.78 CCR3 (0.79) CCR3TP53MAPTTHRB

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