Sugi Predict

Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL28053557

Cc1nccc(C(=O)N2CCCC(c3ccc(C(F)(F)F)cc3)C2)c1C.N.O=CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 16/20 0.58
▸ PDE2A O00408 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAP3K12 Q12852 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28053548 0.96 PROKR1 (0.62) PROKR1PDE2APDE3AMEN1ALDH1A1
SCHEMBL28853807 0.95 PROKR1 (0.63) PROKR1PDE2APDE3AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL28053444 0.80 PROKR1 (0.51) PROKR1
SCHEMBL28188752 0.79 PROKR1 (0.52) PROKR1
Ammonia Solution, Strong SCHEMBL28053540 0.78 PROKR1 (0.63) PROKR1
Formic Acid SCHEMBL16447907 0.78 PROKR1 (0.93) PROKR1
SCHEMBL28188722 0.78 PROKR1 (0.78) PROKR1
SCHEMBL28189303 0.77 PROKR1 (0.64) PROKR1
Ammonia Solution, Strong SCHEMBL28053550 0.74 PROKR1 (0.65) PROKR1PDE2A
SCHEMBL16446196 0.73 PROKR1 (1.00) PROKR1

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
CN-105452233-A Piperidine and azepane derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICALS CO 2016-03-30 — — CN disclosed