SCHEMBL7768027

SCHEMBL7768027

CC(C#N)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.55
SIRT6 Q8N6T7 2/20 0.55
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.50
HTR1A P08908 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ADRB1 P08588 1/20 0.48

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
SCHEMBL5741339 0.85 SIRT6 (0.62) IGF1RSIRT6MAPTALDH1A1HTT
SCHEMBL519461 0.82 IGF1R (0.65) IGF1RSIRT6MAPTALDH1A1HTT
SCHEMBL519813 0.82 IGF1R (0.65) IGF1RSIRT6MAPTALDH1A1HTT
SCHEMBL519460 0.82 IGF1R (0.65) IGF1RSIRT6MAPTALDH1A1HTT
SCHEMBL7766495 0.80 AKR1C3 (0.45) ALDH1A1
SCHEMBL3756774 0.79 MAPT (0.56) IGF1RSIRT6MAPTALDH1A1HTT
SCHEMBL6367321 0.77 SIRT6 (0.56) SIRT6MAPTPOLBLMNAHTR1A
SCHEMBL374222 0.77 SIRT6 (0.68) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL1814960 0.77 SIRT6 (0.59) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL1046934 0.77 HTR1A (0.65) IGF1RSIRT6MAPTPOLBLMNA

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-1104413-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2001-06-06 EP disclosed
WO-2000008006-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2000-02-17 WO disclosed