SCHEMBL16701665

SCHEMBL16701665

CC1CCN(c2cc(Cl)nc(N)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.63
▸ MAPT P10636 3/20 0.62
▸ CYP1A2 P05177 3/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HTT P42858 4/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ S1PR2 O95136 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ HRH4 Q9H3N8 7/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL1318180 0.81 MAPT (0.72) LMNAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3719291 0.81 MAPT (0.72) LMNAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL605990 0.81 HRH4 (0.71) HRH4HRH3
SCHEMBL1024211 0.80 HRH4 (0.70) MAPTCYP1A2CYP2D6KMT2AHRH4
SCHEMBL1320033 0.80 CYP1A2 (0.70) LMNAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL1318490 0.80 CYP1A2 (0.70) LMNAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL24851307 0.78 CASP1 (0.49) LMNASMN1; SMN2HTTHRH4ALDH1A1
SCHEMBL2166164 0.78 HRH4 (0.70) LMNASMN1; SMN2HRH4CRHBPCRHR2
SCHEMBL8565532 0.77 HRH4 (0.72) LMNAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL1028538 0.77 CYP1A2 (1.00) LMNAMAPTCYP1A2CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 — — WO disclosed
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 — — WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 — — WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 — — WO disclosed
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