SCHEMBL8705117

SCHEMBL8705117

c1ccc(CN(Cc2ccccc2)c2cccnc2N2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ HTR2C P28335 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ PLD1 Q13393 1/20 0.44
▸ HTR1A P08908 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL9070490 0.82 EPHX2 (0.51) HTR6EPHX2HTR2CPLD1HTR1A
SCHEMBL9370567 0.75 EPHX2 (0.50) HTR6EPHX2HTR2CPLD1HTR1A
SCHEMBL10365739 0.74 EPHX2 (0.44) HTR6EPHX2HTR2CPLD1HTR1A
SCHEMBL3319555 0.71 HTR7 (0.58) HTR6EPHX2HTR2CPLD1HTR1A
SCHEMBL11300489 0.70 HTR6 (0.51) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10495676 0.70 HTR2C (0.68) EPHX2HTR2CPLD1HTR1ASLC6A2
SCHEMBL11296484 0.69 SIGMAR1 (0.49) HTR6HTR2CTAAR1HTR1AHTR3E
Hydrochloric Acid SCHEMBL5900848 0.69 EPHX2 (0.50) EPHX2HTR2CPLD1SLC6A4
SCHEMBL11300280 0.69 OPRL1 (0.47) HTR6TAAR1HTR1AHTR3EHTR3B
SCHEMBL28065684 0.69 HTR6 (0.53) HTR6EPHX2HTR2CTAAR1ACHE

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-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 — — US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 — — EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 — — WO disclosed
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