SCHEMBL12812166

SCHEMBL12812166

CCCNC(C)c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 4/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
CASR P41180 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL13137645 0.79 SMN1; SMN2 (0.49) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL13911202 0.79 SMN1; SMN2 (0.49) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL9661856 0.78 HTR1A (0.70) TP53LMNACYP3A4CHRM2HTR1A
SCHEMBL13137652 0.78 ALDH1A1 (0.57) LMNACYP3A4HTR1ASLC6A2SLC6A4
SCHEMBL2668990 0.74 TP53 (0.45) TP53BCHEACHELMNASLC6A4
SCHEMBL2669158 0.74 TP53 (0.45) TP53BCHEACHELMNASLC6A4
SCHEMBL13137646 0.74 CA1 (0.53) TP53ACHELMNACYP1A2HPGD
SCHEMBL13137650 0.73 ALDH1A1 (0.51) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL8443448 0.73 HTR1A (0.48) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL13137649 0.73 ESR1 (0.47) LMNACYP3A4CHRM2HTR1AADRA2A

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
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 EP disclosed