SCHEMBL11168230

SCHEMBL11168230

COc1cc(NC(=O)C(F)(F)F)ccc1OCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MCHR1 Q99705 5/20 0.53
▸ QPCT Q16769 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ BCHE P06276 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ GFER P55789 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ EPHX2 P34913 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
SCHEMBL11172284 0.91 ALDH1A1 (0.55) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11165829 0.88 DRD2 (0.62) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11173613 0.87 MCHR1 (0.66) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11198528 0.87 ALDH1A1 (0.60) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11176687 0.87 MCHR1 (0.60) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11157326 0.86 ALDH1A1 (0.54) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11160725 0.86 ALDH1A1 (0.55) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11169527 0.85 DRD2 (0.58) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11167746 0.85 MAPT (0.55) MAPTUSP2ALDH1A1LMNAHPGD
SCHEMBL11159508 0.85 MAPT (0.55) MAPTUSP2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4413006-A N-Aryl-N-phenoxy-alkyl-piperazine compounds useful in decreasing intracranial pressure TANABE SEIYAKU CO., LTD. (JP) 1983-11-01 — — US disclosed
EP-0034284-B1 PIPERAZINE DERIVATIVE, PROCESSES FOR PREPARING THE SAME AND THERAPEUTIC COMPOSITIONS CONTAINING IT Tanabe Seiyaku Co., Ltd. (JP) 1983-10-05 — — EP disclosed
EP-0034284-A2 Piperazine derivative, processes for preparing the same and therapeutic compositions containing it Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 — — EP disclosed
Send feedback