SCHEMBL14456952

SCHEMBL14456952

O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.78
▸ LSS P48449 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KMT2A Q03164 1/20 0.62
▸ USP2 O75604 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPC1 O15118 1/20 0.59

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
SCHEMBL14456956 0.90 CNR1 (0.69) POLBLSSALDH1A1TSHRLMNA
SCHEMBL14456748 0.86 KMT2A (0.73) POLBALDH1A1TSHRKMT2ACYP3A4
SCHEMBL14456892 0.83 MEN1 (0.63) ALDH1A1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL14456786 0.82 MEN1 (0.63) POLBALDH1A1TSHRKMT2ACYP3A4
SCHEMBL14456954 0.81 ALDH1A1 (0.55) POLBALDH1A1TSHRKMT2ACYP3A4
SCHEMBL14456960 0.81 CHRM1 (0.62) CYP3A4
SCHEMBL13591254 0.81 MEN1 (0.65) POLBALDH1A1TSHRKMT2ACYP3A4
SCHEMBL14456827 0.81 CYP3A4 (0.68) POLBALDH1A1TSHRKMT2ACYP3A4
SCHEMBL14456959 0.80 ALDH1A1 (0.65) ALDH1A1TSHRLMNAKMT2AUSP2
SCHEMBL14456713 0.80 POLB (0.84) POLBALDH1A1TSHRLMNAKMT2A

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
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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