SCHEMBL10902003

SCHEMBL10902003

CCOC(=O)c1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.61
KCNH2 Q12809 1/20 0.61
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
SOD1 P00441 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.49
HTR1A P08908 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49

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
SCHEMBL10899677 0.89 KCNJ1 (0.65) KCNJ1KCNH2ALDH1A1TSHRMAPT
SCHEMBL10899492 0.86 THRB (0.65) KCNJ1KCNH2ALDH1A1TSHRMAPT
SCHEMBL8205972 0.85 ALDH1A1 (0.58) KCNJ1KCNH2SOD1ALDH1A1TSHR
SCHEMBL10902040 0.84 KCNJ1 (0.57) KCNJ1KCNH2ADRA1DADRA1AADRA1B
SCHEMBL10900781 0.84 KCNJ1 (0.59) KCNJ1KCNH2ALDH1A1TSHRMAPT
SCHEMBL10901601 0.84 ADRA1D (0.68) ADRA1DADRA1AADRA1BSOD1SMN1; SMN2
SCHEMBL10901296 0.83 KMT2A (0.70) SOD1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10902081 0.83 SIGMAR1 (0.65) ADRA1DADRA1AADRA1BSOD1HTR1A
SCHEMBL10901022 0.82 CYP2C9 (0.66) KCNJ1KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL10899620 0.82 KCNH2 (0.57) KCNJ1KCNH2ALDH1A1TSHRMAPT

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-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed