SCHEMBL11095196

SCHEMBL11095196

CCN1C(=O)Cc2cc(C3=NNC(=O)C4CC34)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
GPR119 Q8TDV5 9/20 0.43
BRD4 O60885 1/20 0.41
ADRA2C P18825 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL11090936 0.91 BMPR1B (0.47) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11090062 0.91 PDE4A (0.46) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11086404 0.90 CYP1A2 (0.52) HRH3GPR119ADRA2CSLC6A3CYP1A2
SCHEMBL11094260 0.89 PDE4A (0.50) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10647530 0.85 PDE3B (0.51) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11088177 0.82 BMPR1B (0.47) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11084934 0.81 PDE3B (0.48) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11090645 0.81 PDE4A (0.48) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11087392 0.79 CYP1A2 (0.50) HRH3GPR119CYP1A2CYP11B1CYP11B2
SCHEMBL11090751 0.77 PDE3B (0.65) HRH3GPR119ADRA2CSLC6A3CYP1A2

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-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed