SCHEMBL652969

SCHEMBL652969

CCCCn1c(-c2ccccc2)nc(-c2cccc(SC)c2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
CTSL P07711 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GNRHR P30968 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CETP P11597 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
F2R P25116 1/20 0.33
TSHR P16473 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
SCHEMBL651975 0.95 C5AR1 (0.53) C5AR1CTSLHTR2AHTR2CHTR2B
SCHEMBL648225 0.93 C5AR1 (0.59) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL651747 0.92 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL647917 0.92 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL647664 0.91 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL649608 0.91 C5AR1 (0.53) C5AR1CTSLHTR2AHTR2CHTR2B
SCHEMBL650172 0.91 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL651076 0.91 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL647949 0.91 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL649924 0.91 C5AR1 (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
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