SCHEMBL9830246

SCHEMBL9830246

O=C1CCN(c2cc(Cl)c(Cl)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IP6K1 Q92551 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL9833165 0.84 CHRM2 (0.48) HSP90AA1MKNK1MKNK2CHRM2CHRM4
SCHEMBL9832904 0.81 ADRB1 (0.51) ADRB1KMT2ANOTUMSLC6A2SLC6A4
SCHEMBL10407582 0.74 ALDH1A1 (0.46) HSP90AA1KMT2A
SCHEMBL9829920 0.74 MAOB (0.50) KMT2A
SCHEMBL9831474 0.74 ALOX5 (0.33) KMT2A
SCHEMBL10408293 0.74 HTR3E (0.47) ADRB1KMT2ANOTUM
SCHEMBL10408075 0.74 HTR3E (0.54) ADRB1SLC6A4
SCHEMBL9829312 0.73 MAPT (0.43) NOTUM
SCHEMBL9833149 0.73 HSP90AA1 (0.41) HSP90AA1MKNK1MKNK2CHRM1KMT2A
SCHEMBL9830105 0.73 HSP90AA1 (0.37) HSP90AA1MKNK1MKNK2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed