SCHEMBL6040251

SCHEMBL6040251

O=C(COCc1ccccc1)C1CNCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
HTR2C P28335 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 1/20 0.35
CSNK1D P48730 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL3553273 0.82 FAAH (0.42) MC4R
SCHEMBL5761025 0.81 HTR2C (0.46) HTR2CLMNATSHR
SCHEMBL6848128 0.76 HTR2C (0.43) GRM5HTR2CLMNATSHRTACR1
SCHEMBL8656130 0.72 NAAA (0.39) NPC1LMNATSHR
SCHEMBL6040299 0.72
SCHEMBL4839660 0.71 REN (0.43) LMNATSHRTACR1
SCHEMBL2569683 0.71 KMT2A (0.39) TSHR
SCHEMBL8654249 0.71 SMN1; SMN2 (0.45) NPC1LMNA
SCHEMBL10702694 0.71 NAAA (0.47) NPC1LMNA
SCHEMBL8654542 0.70 NAAA (0.49) NPC1

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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed