SCHEMBL648136

SCHEMBL648136

CCCCn1c(-c2ccccc2)nc(C#N)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.50
CTSL P07711 5/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CETP P11597 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
F2R P25116 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL648504 0.93 C5AR1 (0.51) C5AR1CTSLHTR2AHTR2CHTR2B
SCHEMBL648225 0.90 C5AR1 (0.59) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL648536 0.89 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL650985 0.89 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL649789 0.89 C5AR1 (0.53) C5AR1CTSLHTR2AHTR2CHTR2B
SCHEMBL650194 0.89 C5AR1 (0.53) C5AR1CTSLHTR2AHTR2CHTR2B
SCHEMBL648818 0.88 C5AR1 (0.62) C5AR1CTSLSMN1; SMN2LMNAL3MBTL1
SCHEMBL650016 0.88 C5AR1 (0.51) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL650055 0.88 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL647658 0.88 C5AR1 (0.56) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed