SCHEMBL650398

SCHEMBL650398

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.48
TSHR P16473 2/20 0.46
C5AR1 P21730 1/20 0.42
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL1915460 0.93 CRHR1 (0.42) CRHR1TSHRC5AR1NR1H3KDM4E
SCHEMBL648460 0.89 CRHR1 (0.41) CRHR1TSHRC5AR1NR1H3ALDH1A1
SCHEMBL650192 0.89 CRHR1 (0.45) CRHR1TSHRC5AR1
SCHEMBL651116 0.89 CRHR1 (0.41) CRHR1TSHRC5AR1
SCHEMBL651801 0.89 CRHR1 (0.42) CRHR1TSHRC5AR1
SCHEMBL648292 0.89 CRHR1 (0.42) CRHR1TSHRC5AR1
SCHEMBL649785 0.88 CRHR1 (0.40) CRHR1TSHRC5AR1NR1H3KDM4E
SCHEMBL5135611 0.88 CRHR1 (0.49) CRHR1TSHRC5AR1NR1H3KDM4E
SCHEMBL650406 0.87 CRHR1 (0.41) CRHR1TSHRC5AR1KDM4EALDH1A1
SCHEMBL650117 0.87 C5AR1 (0.42) CRHR1TSHRC5AR1NR1H3

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