SCHEMBL7925864

SCHEMBL7925864

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 4/20 0.43
CCR3 P51677 4/20 0.42
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CCR2 P41597 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
THPO P40225 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL7926311 0.85 TACR1 (0.53) TACR1CCR3KDM4EALDH1A1HPGD
SCHEMBL7936497 0.84 CCR3 (0.60) TACR1CCR3SMN1; SMN2CCR2
SCHEMBL7938499 0.83 CCR3 (0.53) TACR1NPC1RAB9ACCR3
SCHEMBL7938507 0.83 TACR1 (0.60) TACR1CCR3CCR2
SCHEMBL7936460 0.83 TACR1 (0.60) TACR1CCR3CCR2
SCHEMBL7932622 0.81 TACR1 (0.54) TACR1NPC1CCR3CCR2
SCHEMBL7935457 0.81 TACR1 (0.54) TACR1NPC1CCR3LMNASMN1; SMN2
SCHEMBL7935264 0.80 TACR1 (0.57) TACR1CCR3CCR2
SCHEMBL7936526 0.80 TACR1 (0.53) TACR1NPC1CCR3KMT2AKDM4E
SCHEMBL7925958 0.79 TACR1 (0.56) TACR1CCR3KMT2AALDH1A1CCR2

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 5 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
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed