SCHEMBL650088

SCHEMBL650088

CCCCn1c(-c2ccccc2OC)nc(C#N)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
C5AR1 P21730 1/20 0.37
CTSL P07711 1/20 0.36
TP53 P04637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
F2R P25116 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL650376 0.92 C5AR1 (0.38) C5AR1CTSLMEN1KMT2ASMN1; SMN2
SCHEMBL5136781 0.90 HTR2C (0.38) HTR2AHTR2CHTR2BC5AR1TP53
SCHEMBL648247 0.89 C5AR1 (0.47) C5AR1CTSLMEN1KMT2ASMN1; SMN2
SCHEMBL1913067 0.88 C5AR1 (0.47) HTR2AHTR2CHTR2BC5AR1TP53
SCHEMBL1913080 0.88 C5AR1 (0.43) HTR2AHTR2CHTR2BC5AR1CTSL
SCHEMBL650053 0.88 C5AR1 (0.38) HTR2AHTR2CHTR2BC5AR1TP53
SCHEMBL649789 0.85 C5AR1 (0.53) HTR2AHTR2CHTR2BC5AR1CTSL
SCHEMBL14572888 0.84 C5AR1 (0.53) HTR2AHTR2CHTR2BC5AR1TP53
SCHEMBL649515 0.83 C5AR1 (0.43) HTR2AHTR2CHTR2BC5AR1TP53
SCHEMBL648590 0.82 C5AR1 (0.40) HTR2AHTR2CHTR2BC5AR1MEN1

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