SCHEMBL18532609

SCHEMBL18532609

Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)C)c2)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21163884 0.87 ALDH1A1 (0.44) TRPM8TRPV1ALDH1A1MAPTLMNA
SCHEMBL14959022 0.87 TRPM8 (0.46) TRPM8TRPV1ALDH1A1LMNACYP1A2
SCHEMBL25133167 0.87 TRPM8 (0.46) TRPM8TRPV1ALDH1A1LMNACYP1A2
SCHEMBL18609697 0.87 TRPM8 (0.46) TRPM8TRPV1ALDH1A1LMNACYP1A2
SCHEMBL20879814 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL20879776 0.85 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL12176554 0.84 TRPM8 (0.41) TRPM8TRPV1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18790113 0.84 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL24016940 0.83 UBE2M (0.52) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL18532607 0.83 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2

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-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
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