SCHEMBL648693

SCHEMBL648693

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(CC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.37
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
METAP2 P50579 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL652376 0.96 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651035 0.95 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648614 0.95 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1912840 0.94 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650515 0.93 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651402 0.92 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5633367 0.92 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL649257 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648139 0.91 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL1913081 0.91 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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 1 patent. 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