SCHEMBL1735444

SCHEMBL1735444

CC[C@@H]1C[C@H](N)c2cccc(C(F)(F)F)c2N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.40
▸ PNMT P11086 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTR2C P28335 6/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSPA1A P0DMV8 1/20 0.38
▸ HSPA8 P11142 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HPN P05981 1/20 0.33

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
SCHEMBL8996534 0.73 POLB (0.40) ARHTR2CHTR2BMEN1HSPA1A
SCHEMBL13674815 0.73 POLB (0.40) ARHTR2CHTR2BMEN1HSPA1A
SCHEMBL8996574 0.73 POLB (0.40) ARHTR2CHTR2BMEN1HSPA1A
SCHEMBL1058695 0.69 AR (0.40) ARPNMTCHRNB2CHRNA4HTR2C
SCHEMBL29740491 0.69 AR (0.40) ARPNMTCHRNB2CHRNA4HTR2C
SCHEMBL30716841 0.69 AR (0.40) ARPNMTCHRNB2CHRNA4HTR2C
SCHEMBL26989692 0.69 AR (0.40) ARPNMTCHRNB2CHRNA4HTR2C
SCHEMBL17504397 0.69 AR (0.40) ARPNMTCHRNB2CHRNA4HTR2C
SCHEMBL1735572 0.69 CES1 (0.43) ARHTR2CHTR2BMEN1KMT2A
SCHEMBL30346324 0.69 PNMT (0.46) PNMTCHRNB2CHRNA4HTR2CHTR2B

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
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 — — EP claimed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 — — WO claimed
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