SCHEMBL9016138

SCHEMBL9016138

CN(C)CCCC(CN)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DNM1 Q05193 3/20 0.33
CYP1A2 P05177 1/20 0.30
HRH2 P25021 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL30792552 0.85 HTR2A (0.33) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL15436603 0.84 TDP1 (0.40) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL30761776 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL30417749 0.80 ALDH1A1 (0.50) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL23888758 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1DNM1
SCHEMBL18984588 0.78 ALDH1A1 (0.41) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL15082103 0.78
SCHEMBL28743623 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL30417510 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL9123905 0.75 ALDH1A1 (0.43) ALDH1A1TSHRHTR2AHRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410467-B1 Process for producing high resilience Polyurethane foam TOSOH CORP (JP) 1996-12-18 EP claimed
US-5104907-A Amine type catalyst and water as blowing agent TOSOH CORPORATION (JP) 1992-04-14 US claimed
EP-0410467-A2 Process for producing high resilience Polyurethane foam Tosoh Corporation (JP) 1991-01-30 EP claimed