SCHEMBL27276371

SCHEMBL27276371

Nc1ccccc1N.O=CN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.41
▸ ADRB1 P08588 3/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR6 P50406 3/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PLD1 Q13393 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL27379890 0.86 HTR6 (0.40) SIGMAR1ADRB1HTR3AHTR3EHTR3B
Benzene SCHEMBL27632184 0.83 SIGMAR1 (0.44) SIGMAR1ADRB1HTR3AHTR3EHTR3B
SCHEMBL28118979 0.80 TSHR (0.49) SIGMAR1ADRB1HTR3AHTR3EHTR3B
SCHEMBL930605 0.80 — —
SCHEMBL12671511 0.80 CA2 (0.35) SIGMAR1ADRB1HTR3AHTR3EHTR3B
SCHEMBL10578128 0.80 CA2 (0.35) SIGMAR1ADRB1HTR3AHTR3EHTR3B
SCHEMBL8467 0.80 — —
Toluene SCHEMBL27652388 0.78 ADRB1 (0.46) SIGMAR1ADRB1HTR3AHTR3EHTR3B
Phenazine SCHEMBL28562393 0.78 HTR3A (0.46) SIGMAR1ADRB1HTR3AHTR3EHTR3B
SCHEMBL28118977 0.78 TSHR (0.47) SIGMAR1ADRB1HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016171-B Synthesis method of high-purity P, P' -diaminobenzoyl piperazine UNIV SHANGHAI (CN) 1992-04-08 — — CN claimed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN claimed
CN-1037554-A Synthesizing of PPTA quadripolymer CHINA TEXTILE ENGINEERING UNIV (CN) 1989-11-29 — — CN claimed
CN-1016171-B Synthesis method of high-purity P, P' -diaminobenzoyl piperazine UNIV SHANGHAI (CN) 1992-04-08 — — CN disclosed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN disclosed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN disclosed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN disclosed
CN-1037554-A Synthesizing of PPTA quadripolymer CHINA TEXTILE ENGINEERING UNIV (CN) 1989-11-29 — — CN disclosed
CN-1037554-A Synthesizing of PPTA quadripolymer CHINA TEXTILE ENGINEERING UNIV (CN) 1989-11-29 — — CN disclosed
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