SCHEMBL8612877

SCHEMBL8612877

C=C(C)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
MTNR1A P48039 3/20 0.33
MTNR1B P49286 2/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ACACB O00763 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL17473831 0.89 MMP9 (0.35) MAPK1QPCTQPCTLMTNR1AALDH1A1
SCHEMBL15251094 0.87 MTNR1A (0.36) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL13196647 0.85 QPCT (0.32) QPCTQPCTLMTNR1A
SCHEMBL514228 0.85 QPCT (0.49) QPCTQPCTLMTNR1AMTNR1BALDH1A1
SCHEMBL23868247 0.84 QPCT (0.33) QPCTQPCTLMTNR1AMTNR1BALDH1A1
SCHEMBL29236724 0.83 MAPK1 (0.36) MAPK1QPCTQPCTLALDH1A1L3MBTL1
SCHEMBL21820172 0.82 CNR1 (0.36) QPCTQPCTLMTNR1AMTNR1BALDH1A1
SCHEMBL17038779 0.81 MTNR1B (0.42) QPCTQPCTLMTNR1AMTNR1BALDH1A1
SCHEMBL17473828 0.80 ST14 (0.36) QPCTQPCTLALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13734799 0.80 MAPT (0.33) QPCTQPCTLMTNR1AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US claimed
US-5780578-A Synthetic polymer exhibiting hydrolytic activity, its preparation and use for conversion of esters and amides to the corresponding alcohol and amine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-07-14 US claimed
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US disclosed
US-5780578-A Synthetic polymer exhibiting hydrolytic activity, its preparation and use for conversion of esters and amides to the corresponding alcohol and amine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-07-14 US disclosed