SCHEMBL11164429

SCHEMBL11164429

COc1cc(NC(C)=O)ccc1OCCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ DRD2 P14416 4/20 0.55
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ DRD4 P21917 3/20 0.53
▸ CACNA1G O43497 3/20 0.53
▸ HTR1A P08908 3/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ DRD3 P35462 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR1B P28222 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR6 P50406 1/20 0.52

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
SCHEMBL11168272 0.91 DRD2 (0.56) LMNAMAPTALOX15MAPK1DRD2
SCHEMBL11172796 0.90 HTR2A (0.57) LMNAMAPTDRD2USP2ALDH1A1
SCHEMBL11170700 0.90 MAPT (0.57) LMNAMAPTALOX15MAPK1DRD2
SCHEMBL11165829 0.90 DRD2 (0.62) LMNAMAPTDRD2USP2ALDH1A1
SCHEMBL11169527 0.87 DRD2 (0.58) LMNAMAPTDRD2USP2ALDH1A1
SCHEMBL11169258 0.86 DRD2 (0.57) LMNAMAPTDRD2USP2ALDH1A1
SCHEMBL11168269 0.85 DRD2 (0.67) LMNAMAPTDRD2ALDH1A1DRD4
SCHEMBL11167712 0.85 MCHR1 (0.63) LMNAMAPTDRD2USP2ALDH1A1
SCHEMBL11170034 0.85 HTR2A (0.57) LMNAMAPTDRD2USP2HTT
SCHEMBL11165239 0.84 HTR2A (0.58) LMNAMAPTALOX15DRD2HTR1A

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
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