SCHEMBL6734898

SCHEMBL6734898

CC(C)[C@H](CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)NC(=O)c1ccc(C(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.62
SMN1; SMN2 Q16637 1/20 0.47
MCHR1 Q99705 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTGER4 P35408 1/20 0.43
CACNA1G O43497 2/20 0.43
KCNH2 Q12809 2/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5740928 0.90 CCR3 (0.75) CCR3SMN1; SMN2MCHR1MEN1KMT2A
SCHEMBL5854299 0.90 CCR3 (0.75) CCR3SMN1; SMN2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6734201 0.89 CCR3 (0.74) CCR3SMN1; SMN2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6734198 0.89 CCR3 (0.74) CCR3SMN1; SMN2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL3936111 0.89 CCR3 (0.74) CCR3SMN1; SMN2MCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL3936105 0.89 CCR3 (0.74) CCR3SMN1; SMN2MCHR1MEN1KMT2A
SCHEMBL5745139 0.89 CCR3 (0.62) CCR3SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL5745142 0.89 CCR3 (0.62) CCR3SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL7668454 0.87 CCR3 (0.61) CCR3SMN1; SMN2MCHR1MEN1KMT2A
SCHEMBL7668452 0.87 CCR3 (0.61) CCR3SMN1; SMN2MCHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed