SCHEMBL8196325

SCHEMBL8196325

COc1ccc(CCCCNC=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CALM1 P0DP23 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
F2RL1 P55085 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
SCHEMBL2467062 0.89 SMN1; SMN2 (0.57) CHRM2SMN1; SMN2HTTCA12CA1
SCHEMBL3836788 0.82 CALM1 (0.55) CALM1IGF1RALOX15CA12CA1
SCHEMBL4254058 0.81 CALM1 (0.72) CALM1IGF1RALOX15CA12CA1
SCHEMBL11044754 0.81 CALM1 (0.53) CHRM2CALM1IGF1RALOX15CA12
SCHEMBL5075584 0.81 DRD2 (0.60) SMN1; SMN2
SCHEMBL1272900 0.80 CALM1 (0.56) CALM1SMN1; SMN2POLBIGF1RALOX15
SCHEMBL6465780 0.79 CHRM2 (0.62) CHRM2CALM1SMN1; SMN2IGF1RALOX15
SCHEMBL10571532 0.79 CALM1 (0.69) CHRM2CALM1IGF1RALOX15CA12
SCHEMBL11007798 0.79 CALM1 (0.69) CHRM2CALM1IGF1RALOX15CA12
SCHEMBL17400406 0.79 CALM1 (0.69) CHRM2CALM1IGF1RALOX15CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 US disclosed
US-5962530-A NEUROPEPTIDE Y ANTAGONIST DR. KARL THOMAE GMBH (DE) 1999-10-05 US disclosed