SCHEMBL16215293

SCHEMBL16215293

CC(C)CCc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ATM Q13315 1/20 0.39
IDO1 P14902 2/20 0.38
KMT2A Q03164 2/20 0.37
PAX8 Q06710 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
KCNH2 Q12809 3/20 0.34
TMEM97 Q5BJF2 3/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
NOS2 P35228 1/20 0.33

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
SCHEMBL10087558 0.87 IDO1 (0.44) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL2791633 0.84 TAAR1 (0.40) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL6814904 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL26464609 0.81 IDO1 (0.39) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL806196 0.78 TAAR1 (0.56) HTR2AIDO1TSHRMAPK1TAAR1
SCHEMBL2793814 0.78 TAAR1 (0.43) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL2797336 0.78 IDO1 (0.37) HTR2AHTR2CHTR2BATMIDO1
SCHEMBL4645916 0.77 HTR2A (0.62) HTR2AHTR2CHTR2BIDO1TSHR
Hydrochloric Acid SCHEMBL23577777 0.77 TAAR1 (0.55) HTR2AIDO1TSHRMAPK1TAAR1
SCHEMBL12398665 0.77 IDO1 (0.41) ATMIDO1KMT2ATSHRMAPK1

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
EP-2480531-B1 PYRROLIDINONE CARBOXAMIDE DERIVATIVES AS CHEMERIN-R (CHEMR23) MODULATORS CHEMOCENTRYX INC (US) 2014-11-05 EP disclosed