SCHEMBL7953013

SCHEMBL7953013

CCn1c(C(C)[C@@H]2CCCN2C(=O)C(c2ccccc2)C2CCCC2)cc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MGLL Q99685 5/20 0.37
▸ CPT1A P50416 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36

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
SCHEMBL7492498 0.83 CHRM3 (0.37) CHRM3KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7492507 0.83 CHRM3 (0.37) CHRM3KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7492513 0.83 CHRM3 (0.37) CHRM3KDM4EALDH1A1TSHRHSD17B10
SCHEMBL27383134 0.73 CCR5 (0.37) CHRM3KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7491799 0.72 DPP4 (0.41) CHRM3CCR5HRH3DPP4DPP8
SCHEMBL7489797 0.72 DPP4 (0.41) CHRM3CCR5HRH3DPP4DPP8
SCHEMBL7443187 0.70 SLC6A2 (0.36) CHRM3HRH3
SCHEMBL7489858 0.70 SLC6A2 (0.36) CHRM3HRH3
SCHEMBL7958028 0.68 EP300 (0.34) CHRM3CCR5DPP4DPP8
SCHEMBL7958035 0.68 EP300 (0.34) CHRM3CCR5DPP4DPP8

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-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
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