SCHEMBL14456712

SCHEMBL14456712

CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.79
▸ ADRB2 P07550 1/20 0.62
▸ POLB P06746 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ TSHR P16473 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A2 O94788 1/20 0.56
▸ ALDH2 P05091 1/20 0.56
▸ ALDH3A1 P30838 1/20 0.56
▸ ALDH1A3 P47895 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL14456710 0.86 ADRB2 (0.67) ALDH1A1ADRB2POLBCYP1A2CYP2C9
SCHEMBL14456713 0.86 POLB (0.84) ALDH1A1ADRB2POLBCYP1A2CYP2C9
SCHEMBL8228179 0.86 ADRB2 (0.77) ALDH1A1ADRB2POLBTSHRSMN1; SMN2
SCHEMBL8228226 0.85 ADRB2 (0.69) ALDH1A1ADRB2POLBCYP1A2CYP2C9
SCHEMBL14456711 0.83 ADRB2 (0.65) ALDH1A1ADRB2POLBTSHRSMN1; SMN2
SCHEMBL14456886 0.82 CYP3A4 (0.69) ALDH1A1ADRB2TSHRSMN1; SMN2ALDH1A2
SCHEMBL14456715 0.82 MEN1 (0.69) ALDH1A1ADRB2POLBTSHRLMNA
SCHEMBL8223177 0.80 ADRB2 (0.90) ALDH1A1ADRB2TSHRLMNASMN1; SMN2
SCHEMBL8223186 0.80 ADRB2 (0.62) ALDH1A1ADRB2TSHRLMNASMN1; SMN2
SCHEMBL14456890 0.80 ADRB2 (0.62) ALDH1A1ADRB2POLBTSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
Send feedback