SCHEMBL7925969

SCHEMBL7925969

COc1ccccc1C(CN)N1CCN(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.62
MC4R P32245 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
DPP4 P27487 1/20 0.46
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL1160282 0.83 DPP4 (0.67) CCR3MC4RTSHRMAPTMEN1
SCHEMBL18840883 0.77 CCR3 (1.00) CCR3TSHRMEN1KMT2ATP53
SCHEMBL7936488 0.76 TACR1 (0.61) CCR3TSHRALDH1A1POLB
SCHEMBL7925939 0.75 MAPT (0.55) CCR3TSHRMAPTLMNAMEN1
SCHEMBL18840849 0.75 CCR3 (1.00) CCR3MAPTLMNAMEN1KMT2A
SCHEMBL7925962 0.74 CCR3 (0.55) CCR3TSHRMAPTLMNAMEN1
SCHEMBL16501809 0.74 CCR3 (0.49) CCR3TSHRMAPTLMNAMEN1
SCHEMBL4382187 0.74 CCR3 (0.52) CCR3MC4RTSHRMAPTLMNA
SCHEMBL14593237 0.74 ABCB1 (0.45) CCR3MC4RMEN1KMT2AKDM4E
SCHEMBL20534579 0.72 PTGFR (0.51) CCR3TSHRKMT2AKDM4EPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed
EP-0781277-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed