SCHEMBL648095

SCHEMBL648095

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
AGTR1 P30556 7/20 0.40
AGTR2 P50052 4/20 0.40
MME P08473 3/20 0.39
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL649425 0.91 KMT2A (0.37) LPAR1LPAR5AGTR1MMEKMT2A
SCHEMBL648513 0.90 HDAC1 (0.40) LPAR1LPAR5AGTR1AGTR2KMT2A
SCHEMBL650060 0.88 LTB4R2 (0.38) LPAR1LPAR5AGTR1AGTR2KMT2A
SCHEMBL648120 0.86 SMPD1 (0.38) KMT2A
SCHEMBL648465 0.86 RORC (0.36) KMT2A
SCHEMBL650477 0.85 KMT2A (0.34) KMT2A
SCHEMBL652317 0.85 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL1913100 0.83 C5AR1 (0.42) AGTR1AGTR2KMT2ALTA4H
SCHEMBL648906 0.82 HDAC1 (0.39) LPAR1LPAR5AGTR1KMT2A
SCHEMBL648502 0.82 LTA4H (0.42) AGTR1AGTR2LTA4H

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