SCHEMBL7932702

SCHEMBL7932702

CN1CCN(C(CNC(=O)Nc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CCR3 P51677 15/20 0.68
SLC1A2 P43004 1/20 0.67
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL7935658 0.86 CCR3 (0.85) MEN1KMT2ACCR3CYP3A4CYP2C9
SCHEMBL7938443 0.85 CCR3 (0.72) MEN1KMT2ACCR3SLC1A2
SCHEMBL7938472 0.84 CCR3 (0.59) MEN1KMT2ACCR3SLC1A2TP53
SCHEMBL7932599 0.83 CCR3 (0.71) MEN1KMT2ACCR3SLC1A2
SCHEMBL7935240 0.83 CCR3 (0.80) MEN1KMT2ACCR3SLC1A2CYP2C19
SCHEMBL30482318 0.82 SLC1A2 (0.63) MEN1KMT2ACCR3SLC1A2TP53
SCHEMBL7925833 0.81 CCR3 (0.86) CCR3
SCHEMBL18840926 0.81 CCR3 (1.00) MEN1KMT2ACCR3CYP3A4CYP2C9
SCHEMBL25431561 0.80 SLC1A2 (1.00) MEN1KMT2ACCR3SLC1A2TP53
SCHEMBL31367937 0.80 SLC1A2 (1.00) MEN1KMT2ACCR3SLC1A2TP53

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