SCHEMBL6132832

SCHEMBL6132832

c1ccc(C2CCN(c3ccc(N4CCNCC4)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.63
ADRB1 P08588 4/20 0.63
HTR3E A5X5Y0 4/20 0.63
HTR3B O95264 4/20 0.63
HTR3A P46098 4/20 0.63
HTR3D Q70Z44 4/20 0.63
HTR3C Q8WXA8 4/20 0.63
SLC18A3 Q16572 2/20 0.58
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LTA4H P09960 1/20 0.56
HTR6 P50406 4/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR5A P47898 1/20 0.49
IP6K1 Q92551 1/20 0.48
HTR1A P08908 1/20 0.47

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
Hydrochloric Acid SCHEMBL6132971 0.98 SIGMAR1 (0.61) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL4252026 0.85 ADRB1 (0.57) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL7446491 0.85 MBTD1 (0.55) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL17931035 0.83 SIGMAR1 (0.54) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL38661103 0.82 ADRB1 (0.53) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL6618068 0.81 ADRB1 (0.52) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL241159 0.81 DHFR (0.50) SLC18A3KMT2ASMN1; SMN2USP2ALDH1A1
SCHEMBL8363020 0.81 LMNA (0.49) ADRB1SLC18A3HPGDSMN1; SMN2HSD17B10
SCHEMBL939776 0.81 SLC18A3 (0.52) SLC18A3HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31612521 0.81 MEN1 (0.61) SIGMAR1ADRB1HTR3EHTR3BHTR3A

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed