SCHEMBL27982263

SCHEMBL27982263

CCc1cc2cc(C3=CCNCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.48
▸ HTR6 P50406 4/20 0.45
▸ HTR2C P28335 8/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ HTR7 P34969 1/20 0.43
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40

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
SCHEMBL16306719 0.76 MMP13 (0.58) FGFR1FGFR2FGFR3
SCHEMBL9974662 0.76 HTR2C (0.59) QDPRHTR6HTR2CSIGMAR1
SCHEMBL4283633 0.75 HTR2C (0.52) QDPRHTR6HTR2CSIGMAR1HTR7
SCHEMBL7859749 0.73 HTR6 (0.45) HTR6HTR2CSIGMAR1HTR7HTR1D
SCHEMBL3956442 0.73 QDPR (0.54) QDPRHTR2CSIGMAR1HTR1DHTR1B
SCHEMBL7955514 0.71 QDPR (0.55) QDPRHTR2CSIGMAR1
SCHEMBL5585398 0.70 SIGMAR1 (0.65) QDPRHTR6HTR2CSIGMAR1HTR7
SCHEMBL16142947 0.69 HTR6 (0.42) QDPRHTR6HTR2CSIGMAR1HTR7
SCHEMBL14956908 0.68 QDPR (0.60) QDPRHTR6HTR2CSIGMAR1HTR7
SCHEMBL6312184 0.68 QDPR (0.55) QDPRHTR6HTR2CSIGMAR1HTR7

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-104069112-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-10-01 — — CN disclosed
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