SCHEMBL9012497

SCHEMBL9012497

C=C(C)C(=O)C(C)N1CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 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
SCHEMBL9017238 0.79 NPSR1 (0.30) NPSR1
SCHEMBL6070484 0.78 ACE (0.38) NPSR1ALDH1A1POLBFAAHNAAA
Methacrylic Acid SCHEMBL23174600 0.78 ALDH1A1 (0.33) NPSR1ALDH1A1POLBFAAHNAAA
Methacrylic Acid SCHEMBL565397 0.78 ALDH1A1 (0.33) NPSR1ALDH1A1POLBFAAHNAAA
SCHEMBL6856640 0.77 TSHR (0.33) NPSR1ALDH1A1POLB
SCHEMBL295308 0.76 TGFBR1 (0.33) NPSR1FAAHNAAA
SCHEMBL16029023 0.72 FAAH (0.32) NPSR1FAAHNAAA
SCHEMBL7552234 0.71
SCHEMBL367449 0.71
SCHEMBL29237864 0.71 TOP2A (0.36) NPSR1ALDH1A1POLBFAAHNAAA

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-5539054-A THERMOPLASTIC RESIN AND N-VINYL LACTAM COPOLYMERS WITH TENSILE AND IMPACT STRENGTH ROHM AND HAAS COMPANY (US) 1996-07-23 US disclosed
EP-0611077-A2 Polyurethane elastomer blends ROHM AND HAAS COMPANY (US) 1994-08-17 EP disclosed