SCHEMBL7823099

SCHEMBL7823099

C[C@H](c1cn(C)c2ccccc12)[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GPR183 P32249 2/20 0.36
TACR1 P25103 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MC4R P32245 1/20 0.35
CCR2 P41597 1/20 0.35
MGLL Q99685 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ITGB2 P05107 1/20 0.34

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
SCHEMBL7823106 1.00 MAPK1 (0.39) MAPK1POLBHPGDSMN1; SMN2NPC1
SCHEMBL8475997 0.80 TACR1 (0.39) TACR1MC4RMGLLTACR2
SCHEMBL7823350 0.80 TACR1 (0.39) TACR1MC4RMGLLTACR2
SCHEMBL8475749 0.73 TACR1 (0.57) TACR1LMNA
SCHEMBL8475742 0.73 TACR1 (0.57) TACR1LMNA
Dimethylamine SCHEMBL8475481 0.72 TACR1 (0.55) TACR1LMNA
SCHEMBL9234549 0.70 TACR1 (0.47) GPR183TACR1
SCHEMBL8836941 0.70 TACR1 (0.47) GPR183TACR1
SCHEMBL9234555 0.70 TACR1 (0.47) GPR183TACR1
SCHEMBL8480611 0.70 TACR1 (0.47) GPR183TACR1

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
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed