SCHEMBL648292

SCHEMBL648292

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.42
C5AR1 P21730 1/20 0.41
TSHR P16473 2/20 0.37
CASR P41180 1/20 0.35
ACHE P22303 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
SCHEMBL647601 0.91 C5AR1 (0.36) CRHR1C5AR1TSHR
SCHEMBL651024 0.90 C5AR1 (0.47) CRHR1C5AR1TSHRACHE
SCHEMBL650398 0.89 CRHR1 (0.48) CRHR1C5AR1TSHR
SCHEMBL1915460 0.88 CRHR1 (0.42) CRHR1C5AR1TSHR
SCHEMBL650117 0.88 C5AR1 (0.42) CRHR1C5AR1TSHRACHE
SCHEMBL1915566 0.86 C5AR1 (0.45) CRHR1C5AR1TSHRACHE
SCHEMBL1915352 0.86 C5AR1 (0.42) C5AR1TSHR
SCHEMBL648908 0.85 CRHR1 (0.40) CRHR1C5AR1TSHR
SCHEMBL14572836 0.85 CRHR1 (0.49) CRHR1C5AR1TSHR
SCHEMBL650018 0.84 C5AR1 (0.46) CRHR1C5AR1TSHR

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