SCHEMBL649926

SCHEMBL649926

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(NC(C)=O)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 5/20 0.41
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PCK1 P35558 1/20 0.38
C5AR1 P21730 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL1913043 0.90 C5AR1 (0.42) MAPTPCK1C5AR1TSSK1B
SCHEMBL651033 0.90 C5AR1 (0.44) MAPTLMNAHTTC5AR1ALDH1A1
SCHEMBL650123 0.90 C5AR1 (0.39) MAPTLMNAHTTSMN1; SMN2C5AR1
SCHEMBL651956 0.89 C5AR1 (0.43) MAPTLMNAHTTSMN1; SMN2C5AR1
SCHEMBL1915992 0.88 BCHE (0.42) MAPTPCK1C5AR1TSSK1B
SCHEMBL1913044 0.87 RORC (0.46) MAPTPCK1C5AR1TSSK1B
SCHEMBL650580 0.87 C5AR1 (0.41) MAPTLMNAHTTC5AR1ALDH1A1
SCHEMBL5135971 0.87 C5AR1 (0.41) MAPTLMNAHTTSMN1; SMN2C5AR1
SCHEMBL652505 0.86 C5AR1 (0.42) MAPTLMNAHTTC5AR1ALDH1A1
SCHEMBL648790 0.86 C5AR1 (0.43) LMNAHTTC5AR1ALDH1A1DAGLA

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 5 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-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