SCHEMBL8619610

SCHEMBL8619610

N=C(NCCSCc1ccccc1)SCCCc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
LMNA P02545 6/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
NOS1 P29475 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8622920 0.82 NOS1 (0.40) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8624151 0.80 NOS1 (0.39) ALDH1A1HPGDKMT2ANOS1GAA
Iodophenpropit SCHEMBL13039517 0.79 HRH4 (0.35) KMT2ACYP1A2CYP3A4MEN1
SCHEMBL11660028 0.78 HRH3 (0.39) LMNAHPGDSMN1; SMN2KMT2APKM
Iodophenpropit SCHEMBL30938563 0.78 HRH4 (0.36) KMT2ACYP1A2CYP3A4MEN1
SCHEMBL28061468 0.78 CYP2C19 (0.51) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL8619611 0.77 HRH3 (0.48) KMT2ACYP1A2CYP3A4NOS1MEN1
SCHEMBL9867335 0.77 EPHX2 (0.35) ALDH1A1LMNAHPGDSMN1; SMN2PKM
SCHEMBL9876539 0.76 CYP1A2 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL16840342 0.76 SMN1; SMN2 (0.38) HPGDSMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP claimed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP claimed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO claimed
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP disclosed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP disclosed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO disclosed