SCHEMBL4750722

SCHEMBL4750722

CCSc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ ADRA1B P35368 1/20 0.56
▸ CCR3 P51677 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MC4R P32245 1/20 0.53
▸ MBTD1 Q05BQ5 1/20 0.53
▸ L3MBTL3 Q96JM7 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SIGMAR1 Q99720 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49

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
SCHEMBL13958988 0.79 SIGMAR1 (0.79) ADRA1DADRA1AADRA1BCCR3MBTD1
SCHEMBL3240628 0.77 CCR3 (0.63) ADRA1DADRA1AADRA1BCCR3MC4R
SCHEMBL13293708 0.77 HRH3 (0.64) KMT2AMBTD1L3MBTL3L3MBTL1POLB
SCHEMBL22422491 0.77 ADRA1D (0.58) ADRA1DADRA1AADRA1BCCR3MC4R
SCHEMBL6056974 0.76 SLC6A3 (0.83) CCR3KMT2ASIGMAR1SLC6A3HTR1A
SCHEMBL7264546 0.76 SLC6A3 (0.83) CCR3KMT2ASIGMAR1SLC6A3HTR1A
SCHEMBL14407778 0.76 SLC6A3 (0.83) CCR3KMT2ASIGMAR1SLC6A3HTR1A
SCHEMBL13150782 0.76 SLC6A3 (0.83) CCR3KMT2ASIGMAR1SLC6A3HTR1A
SCHEMBL10900749 0.75 ALDH1A1 (0.57) ADRA1DADRA1AADRA1BCCR3KMT2A
SCHEMBL17830792 0.75 SMN1; SMN2 (0.71) KMT2AMC4RSIGMAR1LMNAPOLB

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
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 — — WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 — — WO disclosed
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